diff --git a/mp_api/client/core/__init__.py b/mp_api/client/core/__init__.py index dc2047f09..4387fcf03 100644 --- a/mp_api/client/core/__init__.py +++ b/mp_api/client/core/__init__.py @@ -2,4 +2,4 @@ from .client import BaseRester from .exceptions import MPRestError, MPRestWarning -from .settings import MAPIClientSettings +from .settings import MAPI_CLIENT_SETTINGS, MAPIClientSettings diff --git a/mp_api/client/core/client.py b/mp_api/client/core/client.py index 918c88f62..2b380f8d9 100644 --- a/mp_api/client/core/client.py +++ b/mp_api/client/core/client.py @@ -5,6 +5,7 @@ from __future__ import annotations +import gzip import inspect import itertools import os @@ -16,30 +17,32 @@ from functools import cache from importlib import import_module from importlib.metadata import PackageNotFoundError, version +from io import BytesIO from json import JSONDecodeError from math import ceil from typing import TYPE_CHECKING, ForwardRef, Optional, get_args -from urllib.parse import quote, urljoin +from urllib.parse import quote +import boto3 import requests +from botocore import UNSIGNED +from botocore.config import Config +from botocore.exceptions import ClientError from emmet.core.utils import jsanitize from pydantic import BaseModel, create_model from requests.adapters import HTTPAdapter from requests.exceptions import RequestException -from smart_open import open from tqdm.auto import tqdm from urllib3.util.retry import Retry from mp_api.client.core.exceptions import MPRestError -from mp_api.client.core.settings import MAPIClientSettings -from mp_api.client.core.utils import load_json, validate_ids - -try: - import boto3 - from botocore import UNSIGNED - from botocore.config import Config -except ImportError: - boto3 = None +from mp_api.client.core.settings import MAPI_CLIENT_SETTINGS +from mp_api.client.core.utils import ( + load_json, + validate_api_key, + validate_endpoint, + validate_ids, +) try: import flask @@ -51,15 +54,14 @@ from pydantic.fields import FieldInfo + from mp_api.client.core.utils import LazyImport + try: __version__ = version("mp_api") except PackageNotFoundError: # pragma: no cover __version__ = os.getenv("SETUPTOOLS_SCM_PRETEND_VERSION") -SETTINGS = MAPIClientSettings() # type: ignore - - class _DictLikeAccess(BaseModel): """Define a pydantic mix-in which permits dict-like access to model fields.""" @@ -82,7 +84,6 @@ class BaseRester: suffix: str = "" document_model: type[BaseModel] | None = None - supports_versions: bool = False primary_key: str = "material_id" def __init__( @@ -96,7 +97,7 @@ def __init__( use_document_model: bool = True, timeout: int = 20, headers: dict | None = None, - mute_progress_bars: bool = SETTINGS.MUTE_PROGRESS_BARS, + mute_progress_bars: bool = MAPI_CLIENT_SETTINGS.MUTE_PROGRESS_BARS, **kwargs, ): """Initialize the REST API helper class. @@ -130,23 +131,17 @@ def __init__( mute_progress_bars: Whether to disable progress bars. **kwargs: access to legacy kwargs that may be in the process of being deprecated """ - # TODO: think about how to migrate from PMG_MAPI_KEY - self.api_key = api_key or os.getenv("MP_API_KEY") - self.base_endpoint = self.endpoint = endpoint or os.getenv( - "MP_API_ENDPOINT", "https://api.materialsproject.org/" - ) + self.api_key = validate_api_key(api_key) + self.base_endpoint = validate_endpoint(endpoint) + self.endpoint = validate_endpoint(endpoint, suffix=self.suffix) + self.debug = debug self.include_user_agent = include_user_agent self.use_document_model = use_document_model self.timeout = timeout self.headers = headers or {} self.mute_progress_bars = mute_progress_bars - self.db_version = BaseRester._get_database_version(self.endpoint) - - if self.suffix: - self.endpoint = urljoin(self.endpoint, self.suffix) - if not self.endpoint.endswith("/"): - self.endpoint += "/" + self.db_version = BaseRester._get_database_version(self.base_endpoint) self._session = session self._s3_client = s3_client @@ -167,13 +162,6 @@ def session(self) -> requests.Session: @property def s3_client(self): - if boto3 is None: - raise MPRestError( - "boto3 not installed. To query charge density, " - "band structure, or density of states data first " - "install with: 'pip install boto3'" - ) - if not self._s3_client: self._s3_client = boto3.client( "s3", @@ -194,15 +182,14 @@ def _create_session(api_key, include_user_agent, headers): user_agent = f"{mp_api_info} ({python_info} {platform_info})" session.headers["user-agent"] = user_agent - settings = MAPIClientSettings() # type: ignore - max_retry_num = settings.MAX_RETRIES + max_retry_num = MAPI_CLIENT_SETTINGS.MAX_RETRIES retry = Retry( total=max_retry_num, read=max_retry_num, connect=max_retry_num, respect_retry_after_header=True, status_forcelist=[429, 504, 502], # rate limiting - backoff_factor=settings.BACKOFF_FACTOR, + backoff_factor=MAPI_CLIENT_SETTINGS.BACKOFF_FACTOR, ) adapter = HTTPAdapter(max_retries=retry) session.mount("http://", adapter) @@ -263,11 +250,7 @@ def _post_resource( payload = jsanitize(body) try: - url = self.endpoint - if suburl: - url = urljoin(self.endpoint, suburl) - if not url.endswith("/"): - url += "/" + url = validate_endpoint(self.endpoint, suffix=suburl) response = self.session.post(url, json=payload, verify=True, params=params) if response.status_code == 200: @@ -331,11 +314,7 @@ def _patch_resource( payload = jsanitize(body) try: - url = self.endpoint - if suburl: - url = urljoin(self.endpoint, suburl) - if not url.endswith("/"): - url += "/" + url = validate_endpoint(self.endpoint, suffix=suburl) response = self.session.patch(url, json=payload, verify=True, params=params) if response.status_code == 200: @@ -390,20 +369,31 @@ def _query_open_data( Returns: dict: MontyDecoded data """ - decoder = decoder or load_json + try: + byio = BytesIO() + self.s3_client.download_fileobj(bucket, key, byio) + byio.seek(0) + if (file_data := byio.read()).startswith(b"\x1f\x8b"): + file_data = gzip.decompress(file_data) + byio.close() - file = open( - f"s3://{bucket}/{key}", - encoding="utf-8", - transport_params={"client": self.s3_client}, - ) + decoder = decoder or load_json - if "jsonl" in key: - decoded_data = [decoder(jline) for jline in file.read().splitlines()] - else: - decoded_data = decoder(file.read()) - if not isinstance(decoded_data, list): - decoded_data = [decoded_data] + if "jsonl" in key: + decoded_data = [decoder(jline) for jline in file_data.splitlines()] + else: + decoded_data = decoder(file_data) + if not isinstance(decoded_data, list): + decoded_data = [decoded_data] + + raise_error = not decoded_data or len(decoded_data) == 0 + + except ClientError: + # No such object exists + raise_error = True + + if raise_error: + raise MPRestError(f"No object found: s3://{bucket}/{key}") return decoded_data, len(decoded_data) # type: ignore @@ -467,14 +457,9 @@ def _query_resource( criteria["_fields"] = ",".join(fields) try: - url = self.endpoint - if suburl: - url = urljoin(self.endpoint, suburl) - if not url.endswith("/"): - url += "/" + url = validate_endpoint(self.endpoint, suffix=suburl) if query_s3: - db_version = self.db_version.replace(".", "-") if "/" not in self.suffix: suffix = self.suffix elif self.suffix == "molecules/summary": @@ -490,7 +475,7 @@ def _query_resource( bucket_suffix, prefix = "parsed", "tasks_atomate2" else: bucket_suffix = "build" - prefix = f"collections/{db_version}/{suffix}" + prefix = f"collections/{self.db_version.replace('.', '-')}/{suffix}" bucket = f"materialsproject-{bucket_suffix}" paginator = self.s3_client.get_paginator("list_objects_v2") @@ -618,7 +603,7 @@ def _submit_requests( # noqa bare_url_len = len(url_string) max_param_str_length = ( - MAPIClientSettings().MAX_HTTP_URL_LENGTH - bare_url_len # type: ignore + MAPI_CLIENT_SETTINGS.MAX_HTTP_URL_LENGTH - bare_url_len # type: ignore ) # Next, check if default number of parallel requests works. @@ -626,7 +611,7 @@ def _submit_requests( # noqa # contained in any substring of length max_param_str_length. param_length = len(criteria[parallel_param].split(",")) slice_size = ( - int(param_length / MAPIClientSettings().NUM_PARALLEL_REQUESTS) or 1 # type: ignore + int(param_length / MAPI_CLIENT_SETTINGS.NUM_PARALLEL_REQUESTS) or 1 # type: ignore ) url_param_string = quote(criteria[parallel_param]) @@ -907,14 +892,14 @@ def _multi_thread( params_ind = 0 with ThreadPoolExecutor( - max_workers=MAPIClientSettings().NUM_PARALLEL_REQUESTS # type: ignore + max_workers=MAPI_CLIENT_SETTINGS.NUM_PARALLEL_REQUESTS # type: ignore ) as executor: # Get list of initial futures defined by max number of parallel requests futures = set() for params in itertools.islice( params_gen, - MAPIClientSettings().NUM_PARALLEL_REQUESTS, # type: ignore + MAPI_CLIENT_SETTINGS.NUM_PARALLEL_REQUESTS, # type: ignore ): future = executor.submit( func, @@ -1276,7 +1261,7 @@ def _get_all_documents( for key, entry in query_params.items() if isinstance(entry, str) and len(entry.split(",")) > 0 - and key not in MAPIClientSettings().QUERY_NO_PARALLEL # type: ignore + and key not in MAPI_CLIENT_SETTINGS.QUERY_NO_PARALLEL # type: ignore ), key=lambda item: item[1], reverse=True, @@ -1351,3 +1336,37 @@ def __str__(self): # pragma: no cover f"{self.__class__.__name__} connected to {self.endpoint}\n\n" f"Available fields: {', '.join(self.available_fields)}\n\n" ) + + +class CoreRester(BaseRester): + """Define a BaseRester with extra features for core resters. + + Enables lazy importing / initialization of sub resters + provided in `_sub_resters`, which should be a map + of endpoints names to LazyImport objects. + + """ + + _sub_resters: dict[str, LazyImport] = {} + + def __init__(self, **kwargs): + """Ensure that sub resters are unset on re-init.""" + super().__init__(**kwargs) + self.sub_resters = {k: v.copy() for k, v in self._sub_resters.items()} + + def __getattr__(self, v: str): + if v in self.sub_resters: + if self.sub_resters[v]._obj is None: + self.sub_resters[v]( + api_key=self.api_key, + endpoint=self.base_endpoint, + include_user_agent=self._include_user_agent, + session=self.session, + use_document_model=self.use_document_model, + headers=self.headers, + mute_progress_bars=self.mute_progress_bars, + ) + return self.sub_resters[v] + + def __dir__(self): + return dir(self.__class__) + list(self._sub_resters) diff --git a/mp_api/client/core/settings.py b/mp_api/client/core/settings.py index 9c2955d58..a7b98376f 100644 --- a/mp_api/client/core/settings.py +++ b/mp_api/client/core/settings.py @@ -1,7 +1,6 @@ import os -from multiprocessing import cpu_count -from typing import List +from emmet.core.settings import EmmetSettings from pydantic import Field, field_validator from pydantic_settings import BaseSettings, SettingsConfigDict from pymatgen.core import _load_pmg_settings @@ -14,12 +13,9 @@ _MUTE_PROGRESS_BAR = PMG_SETTINGS.get("MPRESTER_MUTE_PROGRESS_BARS", False) _MAX_HTTP_URL_LENGTH = PMG_SETTINGS.get("MPRESTER_MAX_HTTP_URL_LENGTH", 2000) _MAX_LIST_LENGTH = min(PMG_SETTINGS.get("MPRESTER_MAX_LIST_LENGTH", 10000), 10000) -_DEFAULT_ENDPOINT = "https://api.materialsproject.org/" -try: - CPU_COUNT = cpu_count() -except NotImplementedError: - pass +_EMMET_SETTINGS = EmmetSettings() +_DEFAULT_ENDPOINT = "https://api.materialsproject.org/" class MAPIClientSettings(BaseSettings): @@ -32,7 +28,7 @@ class MAPIClientSettings(BaseSettings): description="Directory with test files", ) - QUERY_NO_PARALLEL: List[str] = Field( + QUERY_NO_PARALLEL: list[str] = Field( [ "elements", "exclude_elements", @@ -93,9 +89,26 @@ class MAPIClientSettings(BaseSettings): _DEFAULT_ENDPOINT, description="The default API endpoint to use." ) + LTOL: float = Field( + _EMMET_SETTINGS.LTOL, + description="Fractional length tolerance for structure matching", + ) + + STOL: float = Field( + _EMMET_SETTINGS.STOL, description="Site tolerance for structure matching." + ) + + ANGLE_TOL: float = Field( + _EMMET_SETTINGS.ANGLE_TOL, + description="Angle tolerance for structure matching in degrees.", + ) + model_config = SettingsConfigDict(env_prefix="MPRESTER_") @field_validator("ENDPOINT", mode="before") def _get_endpoint_from_env(cls, v: str | None) -> str: """Support setting endpoint via MP_API_ENDPOINT environment variable.""" return v or os.environ.get("MP_API_ENDPOINT") or _DEFAULT_ENDPOINT + + +MAPI_CLIENT_SETTINGS = MAPIClientSettings() diff --git a/mp_api/client/core/utils.py b/mp_api/client/core/utils.py index d68b632e2..23c141649 100644 --- a/mp_api/client/core/utils.py +++ b/mp_api/client/core/utils.py @@ -1,7 +1,9 @@ from __future__ import annotations import os +from importlib import import_module from typing import TYPE_CHECKING, Literal +from urllib.parse import urljoin import orjson from emmet.core import __version__ as _EMMET_CORE_VER @@ -10,7 +12,7 @@ from packaging.version import parse as parse_version from mp_api.client.core.exceptions import MPRestError -from mp_api.client.core.settings import MAPIClientSettings +from mp_api.client.core.settings import MAPI_CLIENT_SETTINGS if TYPE_CHECKING: from typing import Any @@ -57,9 +59,9 @@ def validate_api_key(api_key: str | None = None) -> str: # SETTINGS tries to read API key from ~/.config/.pmgrc.yaml api_key = api_key or os.getenv("MP_API_KEY") if not api_key: - from pymatgen.core import SETTINGS + from pymatgen.core import SETTINGS as PMG_SETTINGS - api_key = SETTINGS.get("PMG_MAPI_KEY") + api_key = PMG_SETTINGS.get("PMG_MAPI_KEY") if not api_key or len(api_key) != 32: addendum = " Valid API keys are 32 characters." if api_key else "" @@ -83,7 +85,7 @@ def validate_ids(id_list: list[str]) -> list[str]: Returns: id_list: Returns original ID list if everything is formatted correctly. """ - if len(id_list) > MAPIClientSettings().MAX_LIST_LENGTH: + if len(id_list) > MAPI_CLIENT_SETTINGS.MAX_LIST_LENGTH: raise MPRestError( "List of material/molecule IDs provided is too long. Consider removing the ID filter to automatically pull" " data for all IDs and filter locally." @@ -93,3 +95,125 @@ def validate_ids(id_list: list[str]) -> list[str]: # The following line should be changed to # return [validate_identifier(idx,serialize=True) for idx in id_list] return [str(validate_identifier(idx)) for idx in id_list] + + +def validate_endpoint(endpoint: str | None, suffix: str | None = None) -> str: + """Validate an endpoint with optional suffix. + + NB: does not modify the endpoint in place, + returns a new variable. + + Parameters + ----------- + endpoint : str or None (default) + A string representing the endpoint URL or the default + in `mp_api.client.core.settings` + suffix : str or None (default) + Optional suffix to append to the endpoint. + + Returns: + ----------- + str : the validated endpoint + """ + new_endpoint = endpoint or MAPI_CLIENT_SETTINGS.ENDPOINT + if suffix: + new_endpoint = urljoin(new_endpoint, suffix) + if not new_endpoint.endswith("/"): + new_endpoint += "/" + return new_endpoint + + +class LazyImport: + """Lazily import and load an object. + + This class is super lazy, in that it lazily imports and caches an object. + If the object is a function, the function itself will be cached. + + If the object is a class, and the class is initialized, the + current instance of the class will be cached. + + Parameters + ----------- + import_str : str + A dot-separated, import-like string. + """ + + __slots__ = ["_module_name", "_class_name", "_obj", "_imported"] + + def __init__( + self, + import_str: str, + ) -> None: + """Initialize a lazily imported object. + + Parameters + ----------- + import_str : str + A dot-separated, import-like string. + """ + if len(split_import_str := import_str.rsplit(".", 1)) > 1: + self._module_name, self._class_name = split_import_str + else: + self._module_name = split_import_str[0] + self._class_name = None + + self._imported: Any | None = None + self._obj: Any | None = None + + def copy(self) -> LazyImport: + """Return a new copy of the current instance.""" + return LazyImport( + f"{self._module_name}" + + (f".{self._class_name}" if self._class_name else "") + ) + + def __str__(self) -> str: + return f"LazyImport of {self._module_name}" + ( + f".{self._class_name}" if self._class_name else "" + ) + + def __repr__(self) -> str: + return self.__str__() + + def _load( + self, + ) -> None: + try: + _imported = import_module(self._module_name) + if self._class_name: + _imported = getattr(_imported, self._class_name) + self._imported = _imported + except Exception as exc: + raise ImportError( + f"Failed to import {self._module_name}.{self._class_name}:\n{exc}" + ) + + def __call__(self, *args, **kwargs) -> Any: + """Call a function or (re-)initialize a class. + + If the object itself has not been imported, this will first import it. + + If the object is a class, it will be initialized, cached, and returned. + + If the object is a function, it will be cached, and this will return + the value(s) of the function at (*args,**kwargs). + """ + if self._imported is None: + self._load() + + if isinstance(self._imported, type): + self._obj = self._imported(*args, **kwargs) + return self._obj + else: + self._obj = self._imported + return self._obj(*args, **kwargs) + + def __getattr__(self, v: str) -> Any: + """Get an attribute on a super lazy object.""" + if self._obj is not None and hasattr(self._obj, v): + return getattr(self._obj, v) + + if self._imported is None: + self._load() + if hasattr(self._imported, v): + return getattr(self._imported, v) diff --git a/mp_api/client/mprester.py b/mp_api/client/mprester.py index f989266a4..cebfba1a1 100644 --- a/mp_api/client/mprester.py +++ b/mp_api/client/mprester.py @@ -8,8 +8,6 @@ from emmet.core.electronic_structure import BSPathType from emmet.core.mpid import MPID, AlphaID -from emmet.core.settings import EmmetSettings -from emmet.core.tasks import TaskDoc from emmet.core.types.enums import ThermoType from emmet.core.vasp.calc_types import CalcType from packaging import version @@ -24,100 +22,45 @@ from mp_api.client.core import BaseRester, MPRestError, MPRestWarning from mp_api.client.core._oxygen_evolution import OxygenEvolution -from mp_api.client.core.settings import MAPIClientSettings -from mp_api.client.core.utils import load_json, validate_api_key, validate_ids -from mp_api.client.routes import GeneralStoreRester, MessagesRester, UserSettingsRester -from mp_api.client.routes.materials import ( - AbsorptionRester, - AlloysRester, - BandStructureRester, - BondsRester, - ChemenvRester, - ConversionElectrodeRester, - DielectricRester, - DOIRester, - DosRester, - ElasticityRester, - ElectrodeRester, - ElectronicStructureRester, - EOSRester, - GrainBoundaryRester, - MagnetismRester, - OxidationStatesRester, - PhononRester, - PiezoRester, - ProvenanceRester, - RobocrysRester, - SimilarityRester, - SubstratesRester, - SummaryRester, - SurfacePropertiesRester, - SynthesisRester, - TaskRester, - ThermoRester, - XASRester, +from mp_api.client.core.settings import MAPI_CLIENT_SETTINGS +from mp_api.client.core.utils import ( + LazyImport, + load_json, + validate_api_key, + validate_endpoint, + validate_ids, ) -from mp_api.client.routes.materials.materials import MaterialsRester -from mp_api.client.routes.molecules import MoleculeRester +from mp_api.client.routes import GENERIC_RESTERS +from mp_api.client.routes.materials import MATERIALS_RESTERS +from mp_api.client.routes.molecules import MOLECULES_RESTERS if TYPE_CHECKING: from typing import Any, Literal + from emmet.core.tasks import CoreTaskDoc from pymatgen.analysis.phase_diagram import PDEntry from pymatgen.entries.computed_entries import ComputedEntry -_EMMET_SETTINGS = EmmetSettings() -_MAPI_SETTINGS = MAPIClientSettings() + DEFAULT_THERMOTYPE_CRITERIA = {"thermo_types": ["GGA_GGA+U"]} +RESTER_LAYOUT = { + "molecules/core": LazyImport( + "mp_api.client.routes.molecules.molecules.MoleculeRester" + ), + "materials/core": LazyImport( + "mp_api.client.routes.materials.materials.MaterialsRester" + ), + **{f"materials/{k}": v for k, v in MATERIALS_RESTERS.items() if k not in {"doi"}}, + "doi": MATERIALS_RESTERS["doi"], + **{f"molecules/{k}": v for k, v in MOLECULES_RESTERS.items()}, + **GENERIC_RESTERS, +} + class MPRester: """Access the new Materials Project API.""" - # Type hints for all routes - # To re-generate this list, use: - # for rester in MPRester()._all_resters: - # print(f"{rester.suffix.replace('/', '_')}: {rester.__class__.__name__}") - - # Materials - eos: EOSRester - materials: MaterialsRester - similarity: SimilarityRester - tasks: TaskRester - xas: XASRester - grain_boundaries: GrainBoundaryRester - substrates: SubstratesRester - surface_properties: SurfacePropertiesRester - phonon: PhononRester - elasticity: ElasticityRester - thermo: ThermoRester - dielectric: DielectricRester - piezoelectric: PiezoRester - magnetism: MagnetismRester - summary: SummaryRester - robocrys: RobocrysRester - synthesis: SynthesisRester - insertion_electrodes: ElectrodeRester - conversion_electrodes: ConversionElectrodeRester - electronic_structure: ElectronicStructureRester - electronic_structure_bandstructure: BandStructureRester - electronic_structure_dos: DosRester - oxidation_states: OxidationStatesRester - provenance: ProvenanceRester - bonds: BondsRester - alloys: AlloysRester - absorption: AbsorptionRester - chemenv: ChemenvRester - - # Molecules - molecules: MoleculeRester - - # Generic - doi: DOIRester - _user_settings: UserSettingsRester - _general_store: GeneralStoreRester - _messages: MessagesRester - def __init__( self, api_key: str | None = None, @@ -127,7 +70,7 @@ def __init__( use_document_model: bool = True, session: Session | None = None, headers: dict | None = None, - mute_progress_bars: bool = _MAPI_SETTINGS.MUTE_PROGRESS_BARS, + mute_progress_bars: bool = MAPI_CLIENT_SETTINGS.MUTE_PROGRESS_BARS, **kwargs, ): """Initialize the MPRester. @@ -166,9 +109,7 @@ def __init__( """ self.api_key = validate_api_key(api_key) - self.endpoint = endpoint or _MAPI_SETTINGS.ENDPOINT - if not self.endpoint.endswith("/"): - self.endpoint += "/" + self.endpoint = validate_endpoint(endpoint) self.headers = headers or {} self.session = session or BaseRester._create_session( @@ -176,6 +117,7 @@ def __init__( include_user_agent=include_user_agent, headers=self.headers, ) + self._include_user_agent = include_user_agent self.use_document_model = use_document_model self.mute_progress_bars = mute_progress_bars self._contribs = None @@ -222,7 +164,7 @@ def __init__( emmet_version = MPRester.get_emmet_version(self.endpoint) if version.parse(emmet_version.base_version) < version.parse( - _MAPI_SETTINGS.MIN_EMMET_VERSION + MAPI_CLIENT_SETTINGS.MIN_EMMET_VERSION ): warnings.warn( "The installed version of the mp-api client may not be compatible with the API server. " @@ -235,108 +177,29 @@ def __init__( # Dynamically set rester attributes. # First, materials and molecules top level resters are set. # Nested rested are then setup to be loaded dynamically with custom __getattr__ functions. - self._all_resters = [] - - # Get all rester classes - for _cls in BaseRester.__subclasses__(): - sub_resters = _cls.__subclasses__() - if sub_resters: - self._all_resters.extend(sub_resters) - else: - self._all_resters.append(_cls) + self._all_resters = list(RESTER_LAYOUT.values()) # Instantiate top level molecules and materials resters and set them as attributes core_suffix = ["molecules/core", "materials/core"] core_resters = { - cls.suffix.split("/")[0]: cls( - api_key=api_key, + rest_name.split("/")[0]: lazy_rester( + api_key=self.api_key, endpoint=self.endpoint, - include_user_agent=include_user_agent, + include_user_agent=self._include_user_agent, session=self.session, use_document_model=self.use_document_model, headers=self.headers, mute_progress_bars=self.mute_progress_bars, ) - for cls in self._all_resters - if cls.suffix in core_suffix + for rest_name, lazy_rester in RESTER_LAYOUT.items() + if rest_name in core_suffix } # Set remaining top level resters, or get an attribute-class name mapping - # for all sub-resters - _sub_rester_suffix_map = {"materials": {}, "molecules": {}} - - for cls in self._all_resters: - if cls.suffix not in core_suffix: - suffix_split = cls.suffix.split("/") - - if len(suffix_split) == 1: - rester = cls( - api_key=api_key, - endpoint=self.endpoint, - include_user_agent=include_user_agent, - session=self.session, - use_document_model=self.use_document_model, - headers=self.headers, - mute_progress_bars=self.mute_progress_bars, - ) # type: BaseRester - setattr( - self, - suffix_split[0], - rester, - ) - else: - attr = "_".join(suffix_split[1:]) - if "materials" in suffix_split: - _sub_rester_suffix_map["materials"][attr] = cls - elif "molecules" in suffix_split: - _sub_rester_suffix_map["molecules"][attr] = cls - - # Allow lazy loading of nested resters under materials and molecules using custom __getattr__ methods - def __core_custom_getattr(_self, _attr, _rester_map): - if _attr in _rester_map: - cls = _rester_map[_attr] - rester = cls( - api_key=api_key, - endpoint=self.endpoint, - include_user_agent=include_user_agent, - session=self.session, - use_document_model=self.use_document_model, - headers=self.headers, - mute_progress_bars=self.mute_progress_bars, - ) # type: BaseRester - - setattr( - _self, - _attr, - rester, - ) - - return rester - else: - raise AttributeError( - f"{_self.__class__.__name__!r} object has no attribute {_attr!r}" - ) - - def __materials_getattr__(_self, attr): - _rester_map = _sub_rester_suffix_map["materials"] - rester = __core_custom_getattr(_self, attr, _rester_map) - return rester - - def __molecules_getattr__(_self, attr): - _rester_map = _sub_rester_suffix_map["molecules"] - rester = __core_custom_getattr(_self, attr, _rester_map) - return rester - - MaterialsRester.__getattr__ = __materials_getattr__ # type: ignore - MoleculeRester.__getattr__ = __molecules_getattr__ # type: ignore for attr, rester in core_resters.items(): - setattr( - self, - attr, - rester, - ) + setattr(self, attr, rester) @property def contribs(self): @@ -589,9 +452,9 @@ def get_structures( def find_structure( self, filename_or_structure: str | Structure, - ltol: float = _EMMET_SETTINGS.LTOL, - stol: float = _EMMET_SETTINGS.STOL, - angle_tol: float = _EMMET_SETTINGS.ANGLE_TOL, + ltol: float = MAPI_CLIENT_SETTINGS.LTOL, + stol: float = MAPI_CLIENT_SETTINGS.STOL, + angle_tol: float = MAPI_CLIENT_SETTINGS.ANGLE_TOL, allow_multiple_results: bool = False, ) -> list[str] | str: """Finds matching structures from the Materials Project database. @@ -626,13 +489,14 @@ def get_entries( self, chemsys_formula_mpids: str | list[str], compatible_only: bool = True, - inc_structure: bool | None = None, property_data: list[str] | None = None, conventional_unit_cell: bool = False, additional_criteria: dict | None = None, + **kwargs, ) -> list[ComputedStructureEntry]: - """Get a list of ComputedEntries or ComputedStructureEntries corresponding - to a chemical system or formula. This returns entries for all thermo types + """Get a list of ComputedStructureEntry from a chemical system, or formula, or MPID. + + This returns ComputedStructureEntries with final structures for all thermo types represented in the database. Each type corresponds to a different mixing scheme (i.e. GGA/GGA+U, GGA/GGA+U/R2SCAN, R2SCAN). By default the thermo_type of the entry is also returned. @@ -648,12 +512,6 @@ def get_entries( which performs adjustments to allow mixing of GGA and GGA+U calculations for more accurate phase diagrams and reaction energies. This data is obtained from the core "thermo" API endpoint. - inc_structure (str): *This is a deprecated argument*. Previously, if None, entries - returned were ComputedEntries. If inc_structure="initial", - ComputedStructureEntries with initial structures were returned. - Otherwise, ComputedStructureEntries with final structures - were returned. This is no longer needed as all entries will contain the - final structure data by default. property_data (list): Specify additional properties to include in entry.data. If None, only default data is included. Should be a subset of input parameters in the 'MPRester.thermo.available_fields' list. @@ -663,14 +521,15 @@ def get_entries( correspond to proper function inputs to `MPRester.thermo.search`. For instance, if you are only interested in entries on the convex hull, you could pass {"energy_above_hull": (0.0, 0.0)} or {"is_stable": True}. + kwargs: Used here only to gracefully handle deprecated arguments. All kwargs are ignored. Returns: List ComputedStructureEntry objects. """ - if inc_structure is not None: + if kwargs.pop("inc_structure", None) is not None: warnings.warn( - "The 'inc_structure' argument is deprecated as structure " - "data is now always included in all returned entry objects." + "The `inc_structure` argument is deprecated as final structures " + "are always included in all returned ComputedStructureEntry objects." ) if isinstance(chemsys_formula_mpids, str): @@ -1060,9 +919,9 @@ def get_entry_by_material_id( self, material_id: str, compatible_only: bool = True, - inc_structure: bool | None = None, property_data: list[str] | None = None, conventional_unit_cell: bool = False, + **kwargs, ): """Get all ComputedEntry objects corresponding to a material_id. @@ -1075,26 +934,21 @@ def get_entry_by_material_id( which performs adjustments to allow mixing of GGA and GGA+U calculations for more accurate phase diagrams and reaction energies. This data is obtained from the core "thermo" API endpoint. - inc_structure (str): *This is a deprecated argument*. Previously, if None, entries - returned were ComputedEntries. If inc_structure="initial", - ComputedStructureEntries with initial structures were returned. - Otherwise, ComputedStructureEntries with final structures - were returned. This is no longer needed as all entries will contain - structure data by default. property_data (list): Specify additional properties to include in entry.data. If None, only default data is included. Should be a subset of input parameters in the 'MPRester.thermo.available_fields' list. conventional_unit_cell (bool): Whether to get the standard conventional unit cell + kwargs : Other kwargs to pass to `get_entries` Returns: List of ComputedEntry or ComputedStructureEntry object. """ return self.get_entries( material_id, compatible_only=compatible_only, - inc_structure=inc_structure, property_data=property_data, conventional_unit_cell=conventional_unit_cell, + **kwargs, ) def get_entries_in_chemsys( @@ -1102,10 +956,10 @@ def get_entries_in_chemsys( elements: str | list[str], use_gibbs: int | None = None, compatible_only: bool = True, - inc_structure: bool | None = None, property_data: list[str] | None = None, conventional_unit_cell: bool = False, additional_criteria: dict = DEFAULT_THERMOTYPE_CRITERIA, + **kwargs, ): """Helper method to get a list of ComputedEntries in a chemical system. For example, elements = ["Li", "Fe", "O"] will return a list of all @@ -1131,12 +985,6 @@ def get_entries_in_chemsys( which performs adjustments to allow mixing of GGA and GGA+U calculations for more accurate phase diagrams and reaction energies. This data is obtained from the core "thermo" API endpoint. - inc_structure (str): *This is a deprecated argument*. Previously, if None, entries - returned were ComputedEntries. If inc_structure="initial", - ComputedStructureEntries with initial structures were returned. - Otherwise, ComputedStructureEntries with final structures - were returned. This is no longer needed as all entries will contain - structure data by default. property_data (list): Specify additional properties to include in entry.data. If None, only default data is included. Should be a subset of input parameters in the 'MPRester.thermo.available_fields' list. @@ -1147,6 +995,7 @@ def get_entries_in_chemsys( if you are only interested in entries on the convex hull, you could pass {"energy_above_hull": (0.0, 0.0)} or {"is_stable": True}, or if you are only interested in entry data + kwargs : Other kwargs to pass to `get_entries` Returns: List of ComputedStructureEntries. """ @@ -1167,10 +1016,10 @@ def get_entries_in_chemsys( self.get_entries( all_chemsyses, compatible_only=compatible_only, - inc_structure=inc_structure, property_data=property_data, conventional_unit_cell=conventional_unit_cell, additional_criteria=additional_criteria or DEFAULT_THERMOTYPE_CRITERIA, + **kwargs, ) ) @@ -1277,7 +1126,7 @@ def get_wulff_shape(self, material_id: str): def get_charge_density_from_task_id( self, task_id: str, inc_task_doc: bool = False - ) -> Chgcar | tuple[Chgcar, TaskDoc | dict] | None: + ) -> Chgcar | tuple[Chgcar, CoreTaskDoc | dict] | None: """Get charge density data for a given task_id. Arguments: @@ -1285,18 +1134,13 @@ def get_charge_density_from_task_id( inc_task_doc (bool): Whether to include the task document in the returned data. Returns: - (Chgcar, (Chgcar, TaskDoc | dict), None): Pymatgen Chgcar object, or tuple with object and TaskDoc + (Chgcar, (Chgcar, CoreTaskDoc | dict), None): Pymatgen Chgcar object, or tuple with object and CoreTaskDoc """ - kwargs = dict( + chgcar = self.materials.tasks._query_open_data( bucket="materialsproject-parsed", key=f"chgcars/{validate_ids([task_id])[0]}.json.gz", decoder=lambda x: load_json(x, deser=True), - ) - chgcar = self.materials.tasks._query_open_data(**kwargs)[0] - if not chgcar: - raise MPRestError(f"No charge density fetched for task_id {task_id}.") - - chgcar = chgcar[0]["data"] # type: ignore + )[0][0]["data"] if inc_task_doc: task_doc = self.materials.tasks.search(task_ids=task_id)[0] @@ -1306,7 +1150,7 @@ def get_charge_density_from_task_id( def get_charge_density_from_material_id( self, material_id: str, inc_task_doc: bool = False - ) -> Chgcar | tuple[Chgcar, TaskDoc | dict] | None: + ) -> Chgcar | tuple[Chgcar, CoreTaskDoc | dict] | None: """Get charge density data for a given Materials Project ID. Arguments: @@ -1314,7 +1158,8 @@ def get_charge_density_from_material_id( inc_task_doc (bool): Whether to include the task document in the returned data. Returns: - (Chgcar, (Chgcar, TaskDoc | dict), None): Pymatgen Chgcar object, or tuple with object and TaskDoc + (Chgcar, (Chgcar, CoreTaskDoc | dict), None): Pymatgen Chgcar object, + or tuple with object and CoreTaskDoc """ # TODO: really we want a recommended task_id for charge densities here # this could potentially introduce an ambiguity @@ -1324,7 +1169,7 @@ def get_charge_density_from_material_id( if not task_ids: return None - results: list[TaskDoc] = self.materials.tasks.search( + results: list[CoreTaskDoc] = self.materials.tasks.search( task_ids=task_ids, fields=["last_updated", "task_id"] ) # type: ignore @@ -1466,7 +1311,6 @@ def get_cohesive_energy( entries = self.get_entries( material_ids, compatible_only=False, - inc_structure=True, property_data=None, conventional_unit_cell=False, ) @@ -1606,7 +1450,7 @@ def get_stability( pd = self.materials.thermo.get_phase_diagram_from_chemsys( chemsys_str, thermo_type=thermo_type ) - except OSError: + except MPRestError: pd = None if not pd: diff --git a/mp_api/client/routes/__init__.py b/mp_api/client/routes/__init__.py index 7b94a8357..a025534dd 100644 --- a/mp_api/client/routes/__init__.py +++ b/mp_api/client/routes/__init__.py @@ -1,5 +1,12 @@ from __future__ import annotations -from ._general_store import GeneralStoreRester -from ._messages import MessagesRester -from ._user_settings import UserSettingsRester +from mp_api.client.core.utils import LazyImport + +GENERIC_RESTERS = { + k: LazyImport(f"mp_api.client.routes.{k}.{v}") + for k, v in { + "_general_store": "GeneralStoreRester", + "_messages": "MessagesRester", + "_user_settings": "UserSettingsRester", + }.items() +} diff --git a/mp_api/client/routes/materials/__init__.py b/mp_api/client/routes/materials/__init__.py index 63fd0e3bd..7944139a2 100644 --- a/mp_api/client/routes/materials/__init__.py +++ b/mp_api/client/routes/materials/__init__.py @@ -1,40 +1,46 @@ +"""Define routes and imports to non-core materials resters.""" from __future__ import annotations -from .absorption import AbsorptionRester -from .bonds import BondsRester -from .chemenv import ChemenvRester -from .dielectric import DielectricRester -from .doi import DOIRester -from .elasticity import ElasticityRester -from .electrodes import ConversionElectrodeRester, ElectrodeRester -from .electronic_structure import ( - BandStructureRester, - DosRester, - ElectronicStructureRester, -) -from .eos import EOSRester -from .grain_boundaries import GrainBoundaryRester -from .magnetism import MagnetismRester -from .oxidation_states import OxidationStatesRester -from .phonon import PhononRester -from .piezo import PiezoRester -from .provenance import ProvenanceRester -from .robocrys import RobocrysRester -from .similarity import SimilarityRester -from .substrates import SubstratesRester -from .summary import SummaryRester -from .surface_properties import SurfacePropertiesRester -from .synthesis import SynthesisRester -from .tasks import TaskRester -from .thermo import ThermoRester -from .xas import XASRester +from mp_api.client.core.utils import LazyImport -try: - from .alloys import AlloysRester -except ImportError: - AlloysRester = None # type: ignore - -try: - from .charge_density import ChargeDensityRester -except ImportError: - ChargeDensityRester = None # type: ignore +MATERIALS_RESTERS: dict[str, LazyImport] = { + route: LazyImport(f"mp_api.client.routes.materials.{module_name}.{cls_name}") + for route, module_name, cls_name in ( + ("absorption", "absorption", "AbsorptionRester"), + ("alloys", "alloys", "AlloysRester"), + ("bonds", "bonds", "BondsRester"), + ( + "chemenv", + "chemenv", + "ChemenvRester", + ), + ("conversion_electrodes", "electrodes", "ConversionElectrodeRester"), + ("dielectric", "dielectric", "DielectricRester"), + ("doi", "doi", "DOIRester"), + ("elasticity", "elasticity", "ElasticityRester"), + ("electronic_structure", "electronic_structure", "ElectronicStructureRester"), + ( + "electronic_structure_bandstructure", + "electronic_structure", + "BandStructureRester", + ), + ("electronic_structure_dos", "electronic_structure", "DosRester"), + ("eos", "eos", "EOSRester"), + ("grain_boundaries", "grain_boundaries", "GrainBoundaryRester"), + ("insertion_electrodes", "electrodes", "ElectrodeRester"), + ("magnetism", "magnetism", "MagnetismRester"), + ("oxidation_states", "oxidation_states", "OxidationStatesRester"), + ("phonon", "phonon", "PhononRester"), + ("piezoelectric", "piezo", "PiezoRester"), + ("provenance", "provenance", "ProvenanceRester"), + ("robocrys", "robocrys", "RobocrysRester"), + ("similarity", "similarity", "SimilarityRester"), + ("substrates", "substrates", "SubstratesRester"), + ("summary", "summary", "SummaryRester"), + ("surface_properties", "surface_properties", "SurfacePropertiesRester"), + ("synthesis", "synthesis", "SynthesisRester"), + ("tasks", "tasks", "TaskRester"), + ("thermo", "thermo", "ThermoRester"), + ("xas", "xas", "XASRester"), + ) +} diff --git a/mp_api/client/routes/materials/electronic_structure.py b/mp_api/client/routes/materials/electronic_structure.py index 37a3a1e1e..d101793d7 100644 --- a/mp_api/client/routes/materials/electronic_structure.py +++ b/mp_api/client/routes/materials/electronic_structure.py @@ -264,18 +264,11 @@ def get_bandstructure_from_task_id(self, task_id: str): Returns: bandstructure (BandStructure): BandStructure or BandStructureSymmLine object """ - try: - result = self._query_open_data( - bucket="materialsproject-parsed", - key=f"bandstructures/{validate_ids([task_id])[0]}.json.gz", - decoder=lambda x: load_json(x, deser=True), - )[0] - except OSError: - result = None - - if result: - return result[0]["data"] - raise MPRestError("No object found") + return self._query_open_data( + bucket="materialsproject-parsed", + key=f"bandstructures/{validate_ids([task_id])[0]}.json.gz", + decoder=lambda x: load_json(x, deser=True), + )[0][0]["data"] def get_bandstructure_from_material_id( self, @@ -469,18 +462,11 @@ def get_dos_from_task_id(self, task_id: str) -> CompleteDos: Returns: bandstructure (CompleteDos): CompleteDos object """ - try: - result = self._query_open_data( - bucket="materialsproject-parsed", - key=f"dos/{validate_ids([task_id])[0]}.json.gz", - decoder=lambda x: load_json(x, deser=True), - )[0] - except OSError: - result = None - - if result: - return result[0]["data"] # type: ignore - raise MPRestError("No object found") + return self._query_open_data( + bucket="materialsproject-parsed", + key=f"dos/{validate_ids([task_id])[0]}.json.gz", + decoder=lambda x: load_json(x, deser=True), + )[0][0]["data"] def get_dos_from_material_id(self, material_id: str): """Get the complete density of states pymatgen object associated with a Materials Project ID. diff --git a/mp_api/client/routes/materials/materials.py b/mp_api/client/routes/materials/materials.py index 2a09140eb..c826c7de8 100644 --- a/mp_api/client/routes/materials/materials.py +++ b/mp_api/client/routes/materials/materials.py @@ -1,112 +1,20 @@ from __future__ import annotations -from emmet.core.settings import EmmetSettings from emmet.core.symmetry import CrystalSystem from emmet.core.vasp.material import MaterialsDoc from pymatgen.core.structure import Structure -from mp_api.client.core import BaseRester, MPRestError +from mp_api.client.core.client import CoreRester, MPRestError +from mp_api.client.core.settings import MAPI_CLIENT_SETTINGS from mp_api.client.core.utils import validate_ids -from mp_api.client.routes.materials import ( - AbsorptionRester, - AlloysRester, - BandStructureRester, - BondsRester, - ChemenvRester, - ConversionElectrodeRester, - DielectricRester, - DosRester, - ElasticityRester, - ElectrodeRester, - ElectronicStructureRester, - EOSRester, - GrainBoundaryRester, - MagnetismRester, - OxidationStatesRester, - PhononRester, - PiezoRester, - ProvenanceRester, - RobocrysRester, - SimilarityRester, - SubstratesRester, - SummaryRester, - SurfacePropertiesRester, - SynthesisRester, - TaskRester, - ThermoRester, - XASRester, -) - -_EMMET_SETTINGS = EmmetSettings() # type: ignore - - -class MaterialsRester(BaseRester): +from mp_api.client.routes.materials import MATERIALS_RESTERS + + +class MaterialsRester(CoreRester): suffix = "materials/core" document_model = MaterialsDoc # type: ignore - supports_versions = True primary_key = "material_id" - _sub_resters = [ - "eos", - "similarity", - "tasks", - "xas", - "grain_boundaries", - "substrates", - "surface_properties", - "phonon", - "elasticity", - "thermo", - "dielectric", - "piezoelectric", - "magnetism", - "summary", - "robocrys", - "synthesis", - "insertion_electrodes", - "conversion_electrodes", - "electronic_structure", - "electronic_structure_bandstructure", - "electronic_structure_dos", - "oxidation_states", - "provenance", - "bonds", - "alloys", - "absorption", - "chemenv", - ] - - # Materials subresters - eos: EOSRester - materials: MaterialsRester - similarity: SimilarityRester - tasks: TaskRester - xas: XASRester - grain_boundary: GrainBoundaryRester - substrates: SubstratesRester - surface_properties: SurfacePropertiesRester - phonon: PhononRester - elasticity: ElasticityRester - thermo: ThermoRester - dielectric: DielectricRester - piezoelectric: PiezoRester - magnetism: MagnetismRester - summary: SummaryRester - robocrys: RobocrysRester - synthesis: SynthesisRester - insertion_electrodes: ElectrodeRester - conversion_electrodes: ConversionElectrodeRester - electronic_structure: ElectronicStructureRester - electronic_structure_bandstructure: BandStructureRester - electronic_structure_dos: DosRester - oxidation_states: OxidationStatesRester - provenance: ProvenanceRester - bonds: BondsRester - alloys: AlloysRester - absorption: AbsorptionRester - chemenv: ChemenvRester - - def __dir__(self): - return dir(MaterialsRester) + self._sub_resters + _sub_resters = MATERIALS_RESTERS def get_structure_by_material_id( self, material_id: str, final: bool = True @@ -263,9 +171,9 @@ def search( def find_structure( self, filename_or_structure, - ltol=_EMMET_SETTINGS.LTOL, - stol=_EMMET_SETTINGS.STOL, - angle_tol=_EMMET_SETTINGS.ANGLE_TOL, + ltol=MAPI_CLIENT_SETTINGS.LTOL, + stol=MAPI_CLIENT_SETTINGS.STOL, + angle_tol=MAPI_CLIENT_SETTINGS.ANGLE_TOL, allow_multiple_results=False, ) -> list[str] | str: """Finds matching structures from the Materials Project database. diff --git a/mp_api/client/routes/materials/phonon.py b/mp_api/client/routes/materials/phonon.py index 86c868910..d550519a7 100644 --- a/mp_api/client/routes/materials/phonon.py +++ b/mp_api/client/routes/materials/phonon.py @@ -81,21 +81,15 @@ def get_bandstructure_from_material_id( Returns: bandstructure (PhononBS): PhononBS object """ - try: - result = self._query_open_data( - bucket="materialsproject-parsed", - key=f"ph-bandstructures/{phonon_method}/{material_id}.json.gz", - )[0] - except OSError: - result = None - - if not result or not result[0]: - raise MPRestError("No object found") + result = self._query_open_data( + bucket="materialsproject-parsed", + key=f"ph-bandstructures/{phonon_method}/{material_id}.json.gz", + )[0][0] if self.use_document_model: - return PhononBS(**result[0]) + return PhononBS(**result) - return result[0] + return result def get_dos_from_material_id( self, material_id: str, phonon_method: str @@ -109,21 +103,15 @@ def get_dos_from_material_id( Returns: dos (PhononDOS): PhononDOS object """ - try: - result = self._query_open_data( - bucket="materialsproject-parsed", - key=f"ph-dos/{phonon_method}/{material_id}.json.gz", - )[0] - except OSError: - result = None - - if not result or not result[0]: - raise MPRestError("No object found") + result = self._query_open_data( + bucket="materialsproject-parsed", + key=f"ph-dos/{phonon_method}/{material_id}.json.gz", + )[0][0] if self.use_document_model: - return PhononDOS(**result[0]) + return PhononDOS(**result) - return result[0] + return result def get_forceconstants_from_material_id( self, material_id: str @@ -136,18 +124,10 @@ def get_forceconstants_from_material_id( Returns: force constants (list[list[Matrix3D]]): PhononDOS object """ - try: - result = self._query_open_data( - bucket="materialsproject-parsed", - key=f"ph-force-constants/{material_id}.json.gz", - )[0] - except OSError: - result = None - - if not result or not result[0]: - raise MPRestError("No object found") - - return result[0] + return self._query_open_data( + bucket="materialsproject-parsed", + key=f"ph-force-constants/{material_id}.json.gz", + )[0][0] def compute_thermo_quantities(self, material_id: str, phonon_method: str): """Compute thermodynamical quantities for given material ID and phonon_method. diff --git a/mp_api/client/routes/materials/thermo.py b/mp_api/client/routes/materials/thermo.py index 560a33d5a..355b0f7f6 100644 --- a/mp_api/client/routes/materials/thermo.py +++ b/mp_api/client/routes/materials/thermo.py @@ -15,7 +15,6 @@ class ThermoRester(BaseRester): suffix = "materials/thermo" document_model = ThermoDoc # type: ignore - supports_versions = True primary_key = "thermo_id" def search( diff --git a/mp_api/client/routes/molecules/__init__.py b/mp_api/client/routes/molecules/__init__.py index 28dbc3fa4..22ffb17bf 100644 --- a/mp_api/client/routes/molecules/__init__.py +++ b/mp_api/client/routes/molecules/__init__.py @@ -1,13 +1,12 @@ +"""Define routes to non-core molecules resters.""" from __future__ import annotations -from .bonds import MoleculesBondRester -from .jcesr import JcesrMoleculesRester -from .molecules import AssociatedMoleculeRester, MoleculeRester -from .orbitals import MoleculesOrbitalsRester -from .partial_charges import MoleculesPartialChargesRester -from .partial_spins import MoleculesPartialSpinsRester -from .redox import MoleculesRedoxRester -from .summary import MoleculesSummaryRester -from .tasks import MoleculesTaskRester -from .thermo import MoleculesThermoRester -from .vibrations import MoleculesVibrationRester +from mp_api.client.core.utils import LazyImport + +MOLECULES_RESTERS: dict[str, LazyImport] = { + k: LazyImport(f"mp_api.client.routes.molecules.{k}.{v}") + for k, v in ( + ("jcesr", "JcesrMoleculesRester"), + ("summary", "MoleculesSummaryRester"), + ) +} diff --git a/mp_api/client/routes/molecules/jcesr.py b/mp_api/client/routes/molecules/jcesr.py index 15216e44b..41a5d823f 100644 --- a/mp_api/client/routes/molecules/jcesr.py +++ b/mp_api/client/routes/molecules/jcesr.py @@ -1,5 +1,6 @@ from __future__ import annotations +import warnings from collections import defaultdict from emmet.core.molecules_jcesr import MoleculesDoc @@ -14,6 +15,14 @@ class JcesrMoleculesRester(BaseRester): document_model = MoleculesDoc # type: ignore primary_key = "task_id" + def __init__(self, **kwargs): + """Throw deprecation warning when JCESR client is initialized.""" + warnings.warn( + "NOTE: You are accessing the unmaintained legacy molecules data, " + "please use MPRester.molecules.summary." + ) + super().__init__(**kwargs) + def search( self, task_ids: str | list[str] | None = None, diff --git a/mp_api/client/routes/molecules/molecules.py b/mp_api/client/routes/molecules/molecules.py index 4493932e5..2df53922c 100644 --- a/mp_api/client/routes/molecules/molecules.py +++ b/mp_api/client/routes/molecules/molecules.py @@ -1,19 +1,22 @@ -from __future__ import annotations +"""Define core molecules functionality. + +Note that these classes are not currently working. +The `MoleculeRester` methods: `search`, `find_molecule`, `get_molecule_by_mpculeid`, +all return 404s when attempting to use them. +""" -import warnings +from __future__ import annotations from emmet.core.mpid import MPculeID from emmet.core.qchem.molecule import MoleculeDoc -from emmet.core.settings import EmmetSettings from pymatgen.core.structure import Molecule -from mp_api.client.core import BaseRester, MPRestError +from mp_api.client.core.client import CoreRester, MPRestError from mp_api.client.core.utils import validate_ids - -_EMMET_SETTINGS = EmmetSettings() +from mp_api.client.routes.molecules import MOLECULES_RESTERS -class BaseMoleculeRester(BaseRester): +class BaseMoleculeRester(CoreRester): document_model = MoleculeDoc primary_key = "molecule_id" @@ -193,16 +196,4 @@ class AssociatedMoleculeRester(BaseMoleculeRester): class MoleculeRester(BaseMoleculeRester): suffix = "molecules/core" - _sub_resters = ["summary", "jcesr"] - - def __getattribute__(self, attr): - if "jcesr" in attr: - warnings.warn( - "NOTE: You are accessing the unmaintained legacy molecules data, " - "please use MPRester.molecules.summary." - ) - - return super().__getattribute__(attr) - - def __dir__(self): - return dir(MoleculeRester) + self._sub_resters + _sub_resters = MOLECULES_RESTERS diff --git a/pyproject.toml b/pyproject.toml index 24920b084..dd964946e 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -20,20 +20,18 @@ classifiers = [ "Topic :: Scientific/Engineering", ] dependencies = [ - "msgpack", "pymatgen>=2022.3.7,!=2024.2.20", "typing-extensions>=3.7.4.1", "requests>=2.23.0", "monty>=2024.12.10", "emmet-core>=0.86.3rc0", - "smart_open", "boto3", "orjson >= 3.10,<4", ] dynamic = ["version"] [project.optional-dependencies] -all = ["emmet-core[all]>=0.86.2", "custodian", "mpcontribs-client>=5.10"] +all = ["emmet-core[all]>=0.86.2", "custodian", "mpcontribs-client>=5.10", "matminer>=0.9.3"] test = [ "pre-commit", "pytest", diff --git a/test_files/calcs_reversed_mp_1031016.json b/test_files/calcs_reversed_mp_1031016.json deleted file mode 100644 index a9d04b260..000000000 --- a/test_files/calcs_reversed_mp_1031016.json +++ /dev/null @@ -1,1954 +0,0 @@ -[ - { - "vasp_version": "5.4.1", - "has_vasp_completed": true, - "nsites": 16, - "elements": [ - "Ce", - "Mg", - "Na", - "O" - ], - "nelements": 4, - "run_type": "GGA", - "input": { - "incar": { - "ISTART": 1, - "PREC": "accurate", - "ALGO": "Normal", - "ISPIN": 2, - "ICHARG": 0, - "NELM": 100, - "IBRION": -1, - "EDIFF": 0.0008, - "EDIFFG": -0.05, - "NSW": 0, - "ISIF": 3, - "ENCUT": 520.0, - "MAGMOM": [ - 0.0, - 0.739, - 0.001, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - -0.007, - -0.007, - 0.002, - 0.002, - -0.013, - 0.0, - -0.01, - 0.0 - ], - "LREAL": "Auto", - "ISMEAR": 0, - "SIGMA": 0.05, - "LWAVE": false, - "LCHARG": true, - "LVHAR": true, - "LORBIT": false, - "LAECHG": true, - "KPOINT_BSE": [ - -1, - 0, - 0, - 0 - ] - }, - "kpoints": { - "comment": "Kpoints from vasprun.xml", - "nkpoints": 0, - "generation_style": "Monkhorst", - "kpoints": [ - [ - 2, - 2, - 2 - ] - ], - "usershift": [ - 0.0, - 0.0, - 0.0 - ], - "kpts_weights": null, - "coord_type": null, - "labels": null, - "tet_number": 0, - "tet_weight": 0, - "tet_connections": null, - "genvec1": [ - 0.5, - 0.0, - 0.0 - ], - "genvec2": [ - 0.0, - 0.5, - 0.0 - ], - "genvec3": [ - 0.0, - 0.0, - 0.5 - ], - "shift": [ - 0.5, - 0.5, - 0.5 - ], - "@module": "pymatgen.io.vasp.inputs", - "@class": "Kpoints", - "actual_points": [ - { - "abc": [ - 0.25, - 0.25, - 0.25 - ], - "weight": 1.0 - } - ] - }, - "potcar": [ - "Na_pv", - "Ce", - "Mg_pv", - "O" - ], - "potcar_spec": [ - { - "titel": "PAW_PBE Na_pv 05Jan2001", - "hash": "c71d0ed99a871c91fccae9347860d8ba" - }, - { - "titel": "PAW_PBE Ce 28Sep2000", - "hash": "ff3a09f2ff91798e58eb4b9854e9be4a" - }, - { - "titel": "PAW_PBE Mg_pv 06Sep2000", - "hash": "bbcf6f81cc34a3090d483ad641178746" - }, - { - "titel": "PAW_PBE O 08Apr2002", - "hash": "7a25bc5b9a5393f46600a4939d357982" - } - ], - "potcar_type": [ - "PAW_PBE", - "PAW_PBE", - "PAW_PBE", - "PAW_PBE" - ], - "parameters": { - "SYSTEM": "unknown system", - "LCOMPAT": false, - "PREC": "accura", - "ENMAX": 520.0, - "ENAUG": 659.424, - "EDIFF": 0.0008, - "IALGO": 38, - "IWAVPR": 10, - "NBANDS": 70, - "NELECT": 115.0, - "TURBO": 0, - "IRESTART": 0, - "NREBOOT": 0, - "NMIN": 0, - "EREF": 0.0, - "ISMEAR": 0, - "SIGMA": 0.05, - "KSPACING": 0.5, - "KGAMMA": true, - "LREAL": true, - "ROPT": [ - -0.00025, - -0.00025, - -0.00025, - -0.00025 - ], - "LMAXPAW": -100, - "LMAXMIX": 2, - "NLSPLINE": false, - "ISTART": 0, - "ICHARG": 2, - "INIWAV": 1, - "ISPIN": 2, - "LNONCOLLINEAR": false, - "MAGMOM": [ - 0.0, - 0.739, - 0.001, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - -0.007, - -0.007, - 0.002, - 0.002, - -0.013, - 0.0, - -0.01, - 0.0 - ], - "NUPDOWN": -1.0, - "LSORBIT": false, - "SAXIS": [ - 0.0, - 0.0, - 1.0 - ], - "LSPIRAL": false, - "QSPIRAL": [ - 0.0, - 0.0, - 0.0 - ], - "LZEROZ": false, - "LASPH": false, - "LMETAGGA": false, - "NELM": 100, - "NELMDL": 0, - "NELMIN": 2, - "ENINI": 520.0, - "LDIAG": true, - "LSUBROT": false, - "WEIMIN": 0.0, - "EBREAK": 2.86e-06, - "DEPER": 0.3, - "NRMM": 4, - "TIME": 0.4, - "AMIX": 0.4, - "BMIX": 1.0, - "AMIN": 0.1, - "AMIX_MAG": 1.6, - "BMIX_MAG": 1.0, - "IMIX": 4, - "MIXFIRST": false, - "MAXMIX": -45, - "WC": 100.0, - "INIMIX": 1, - "MIXPRE": 1, - "MREMOVE": 5, - "LDIPOL": false, - "LMONO": false, - "IDIPOL": 0, - "EPSILON": 1.0, - "DIPOL": [ - -100.0, - -100.0, - -100.0 - ], - "EFIELD": 0.0, - "NGX": 70, - "NGY": 36, - "NGZ": 36, - "NGXF": 140, - "NGYF": 72, - "NGZF": 72, - "ADDGRID": false, - "NSW": 0, - "IBRION": -1, - "ISIF": 3, - "PSTRESS": 0.0, - "EDIFFG": -0.05, - "NFREE": 0, - "POTIM": 0.5, - "SMASS": -3.0, - "SCALEE": 1.0, - "TEBEG": 0.0001, - "TEEND": 0.0001, - "NBLOCK": 1, - "KBLOCK": 1, - "NPACO": 256, - "APACO": 16.0, - "ISYM": 2, - "SYMPREC": 1e-05, - "LORBIT": false, - "RWIGS": [ - -1.0, - -1.0, - -1.0, - -1.0 - ], - "NEDOS": 301, - "EMIN": 10.0, - "EMAX": -10.0, - "EFERMI": 0.0, - "NWRITE": 2, - "LWAVE": false, - "LCHARG": true, - "LPARD": false, - "LVTOT": false, - "LVHAR": true, - "LELF": false, - "LOPTICS": false, - "STM": [ - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0, - 0.0 - ], - "NPAR": 2, - "NSIM": 4, - "NBLK": -1, - "LPLANE": true, - "LSCALAPACK": false, - "LSCAAWARE": false, - "LSCALU": false, - "LASYNC": false, - "LORBITALREAL": false, - "IDIOT": 3, - "LMUSIC": false, - "POMASS": [ - 22.99, - 140.115, - 24.305, - 16.0 - ], - "DARWINR": [ - 0.0, - 0.0, - 0.0, - 0.0 - ], - "DARWINV": [ - 1.0, - 1.0, - 1.0, - 1.0 - ], - "LCORR": true, - "GGA_COMPAT": true, - "LBERRY": false, - "ICORELEVEL": 0, - "LDAU": false, - "I_CONSTRAINED_M": 0, - "GGA": "--", - "VOSKOWN": 0, - "LHFCALC": false, - "PRECFOCK": "", - "LSYMGRAD": false, - "LHFONE": false, - "LRHFCALC": false, - "LTHOMAS": false, - "LMODELHF": false, - "ENCUT4O": -1.0, - "EXXOEP": 0, - "FOURORBIT": 0, - "AEXX": 0.0, - "HFALPHA": 0.0, - "MCALPHA": 0.0, - "ALDAX": 1.0, - "AGGAX": 1.0, - "ALDAC": 1.0, - "AGGAC": 1.0, - "NKREDX": 1, - "NKREDY": 1, - "NKREDZ": 1, - "SHIFTRED": false, - "ODDONLY": false, - "EVENONLY": false, - "LMAXFOCK": 0, - "NMAXFOCKAE": 0, - "LFOCKAEDFT": false, - "HFSCREEN": 0.0, - "HFSCREENC": 0.0, - "NBANDSGWLOW": 0, - "LUSE_VDW": false, - "Zab_VDW": -0.8491, - "PARAM1": 0.1234, - "PARAM2": 1.0, - "PARAM3": 0.0, - "MODEL_GW": 0, - "MODEL_EPS0": 6.87602624, - "MODEL_ALPHA": 1.0, - "LEPSILON": false, - "LRPA": false, - "LNABLA": false, - "LVEL": false, - "KINTER": 0, - "CSHIFT": 0.1, - "OMEGAMAX": -1.0, - "DEG_THRESHOLD": 0.002, - "NUCIND": false, - "MAGPOS": [ - 0.0, - 0.0, - 0.0 - ], - "LNICSALL": true, - "ORBITALMAG": false, - "LMAGBLOCH": false, - "LCHIMAG": false, - "LGAUGE": true, - "MAGATOM": 0, - "MAGDIPOL": [ - 0.0, - 0.0, - 0.0 - ], - "AVECCONST": [ - 0.0, - 0.0, - 0.0 - ], - "LADDER": false, - "LFXC": false, - "LHARTREE": true, - "IBSE": 0, - "KPOINT": [ - -1, - 0, - 0, - 0 - ], - "LTCTE": false, - "LTETE": false, - "LTRIPLET": false, - "LFXCEPS": false, - "LFXHEG": false, - "NATURALO": 0, - "L2ORDER": false, - "LUSEW": false, - "ENCUTGW": -2.0, - "ENCUTGWSOFT": -2.0, - "ENCUTLF": -1.0, - "LMAXMP2": -1, - "SCISSOR": 0.0, - "NOMEGA": 0, - "NOMEGAR": 0, - "NBANDSGW": -1, - "NBANDSO": -1, - "NBANDSV": -1, - "NELMHF": 1, - "DIM": 3, - "ANTIRES": 0, - "OMEGAMIN": -30.0, - "OMEGATL": -200.0, - "OMEGAGRID": 0, - "SELFENERGY": false, - "LSPECTRAL": false, - "LSPECTRALGW": false, - "LSINGLES": false, - "LFERMIGW": false, - "ODDONLYGW": false, - "EVENONLYGW": false, - "NKREDLFX": 1, - "NKREDLFY": 1, - "NKREDLFZ": 1, - "MAXMEM": 1800, - "TELESCOPE": 0, - "TAUPAR": 1, - "OMEGAPAR": -1, - "LAMBDA": 1.0, - "OFIELD_KAPPA": 0.0, - "OFIELD_K": [ - 0.0, - 0.0, - 0.0 - ], - "OFIELD_Q6_NEAR": 0.0, - "OFIELD_Q6_FAR": 0.0, - "OFIELD_A": 0.0 - }, - "lattice_rec": { - "@module": "pymatgen.core.lattice", - "@class": "Lattice", - "matrix": [ - [ - 0.69393302050533, - 0.0, - 0.0 - ], - [ - 0.0, - 1.39623299474358, - 0.0 - ], - [ - 0.0, - 0.0, - 1.39623299474358 - ] - ] - }, - "structure": { - "@module": "pymatgen.core.structure", - "@class": "Structure", - "lattice": { - "matrix": [ - [ - 9.054455, - 0.0, - 0.0 - ], - [ - 0.0, - 4.500098, - 0.0 - ], - [ - 0.0, - 0.0, - 4.500098 - ] - ], - "a": 9.054455, - "b": 4.500098, - "c": 4.500098, - "alpha": 90.0, - "beta": 90.0, - "gamma": 90.0, - "volume": 183.360699866269 - }, - "sites": [ - { - "species": [ - { - "element": "Na", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.0, - 0.0 - ], - "xyz": [ - 4.5272275, - 0.0, - 0.0 - ], - "label": "Na" - }, - { - "species": [ - { - "element": "Ce", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.0, - 0.0 - ], - "xyz": [ - 0.0, - 0.0, - 0.0 - ], - "label": "Ce" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.5, - 0.5 - ], - "xyz": [ - 0.0, - 2.250049, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.5, - 0.5 - ], - "xyz": [ - 4.5272275, - 2.250049, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.277328, - 0.0, - 0.5 - ], - "xyz": [ - 2.51105389624, - 0.0, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.722672, - 0.0, - 0.5 - ], - "xyz": [ - 6.54340110376, - 0.0, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.277328, - 0.5, - 0.0 - ], - "xyz": [ - 2.51105389624, - 2.250049, - 0.0 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.722672, - 0.5, - 0.0 - ], - "xyz": [ - 6.54340110376, - 2.250049, - 0.0 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.251454, - 0.0, - 0.0 - ], - "xyz": [ - 2.27677892757, - 0.0, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.748546, - 0.0, - 0.0 - ], - "xyz": [ - 6.77767607243, - 0.0, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.249135, - 0.5, - 0.5 - ], - "xyz": [ - 2.255781646425, - 2.250049, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.750865, - 0.5, - 0.5 - ], - "xyz": [ - 6.798673353575, - 2.250049, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.0, - 0.5 - ], - "xyz": [ - 0.0, - 0.0, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.0, - 0.5 - ], - "xyz": [ - 4.5272275, - 0.0, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.5, - 0.0 - ], - "xyz": [ - 0.0, - 2.250049, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.5, - 0.0 - ], - "xyz": [ - 4.5272275, - 2.250049, - 0.0 - ], - "label": "O" - } - ] - } - }, - "output": { - "ionic_steps": [ - { - "e_fr_energy": -95.92301519, - "e_wo_entrp": -95.92301511, - "e_0_energy": -1.4e-07, - "forces": [ - [ - 0.0, - -0.0, - 0.0 - ], - [ - 0.0, - -0.0, - 0.0 - ], - [ - 0.0, - -0.0, - 0.0 - ], - [ - 0.0, - -0.0, - 0.0 - ], - [ - -0.1203406, - -0.0, - 0.0 - ], - [ - 0.1203406, - -0.0, - 0.0 - ], - [ - -0.12024911, - -0.0, - 0.0 - ], - [ - 0.12024911, - -0.0, - -0.0 - ], - [ - 0.44061054, - -0.0, - 0.0 - ], - [ - -0.44061054, - -0.0, - 0.0 - ], - [ - 0.10682489, - 0.0, - 0.0 - ], - [ - -0.10682489, - -0.0, - -0.0 - ], - [ - 0.0, - -0.0, - 0.0 - ], - [ - 0.0, - -0.0, - 0.0 - ], - [ - 0.0, - -0.0, - 0.0 - ], - [ - 0.0, - -0.0, - 0.0 - ] - ], - "stress": [ - [ - 3.48793543, - 0.0, - 0.0 - ], - [ - 0.0, - -4.01104685, - 0.0 - ], - [ - 0.0, - 0.0, - -3.98734175 - ] - ], - "electronic_steps": [ - { - "alphaZ": 408.90691334, - "ewald": -7654.89884753, - "hartreedc": -2495.10231584, - "XCdc": 455.88901099, - "pawpsdc": 6434.56047832, - "pawaedc": -7153.59988886, - "eentropy": -0.0, - "bandstr": 179.73836848, - "atom": 11627.38242469, - "e_fr_energy": 1802.8761436, - "e_wo_entrp": 1802.8761436, - "e_0_energy": 1802.8761436 - }, - { - "e_fr_energy": 283.54603295, - "e_wo_entrp": 283.54633567, - "e_0_energy": 283.54618431 - }, - { - "e_fr_energy": -72.64542891, - "e_wo_entrp": -72.62440514, - "e_0_energy": -72.63491702 - }, - { - "e_fr_energy": -108.91826856, - "e_wo_entrp": -108.89271803, - "e_0_energy": -108.9054933 - }, - { - "e_fr_energy": -110.20393365, - "e_wo_entrp": -110.17675111, - "e_0_energy": -110.19034238 - }, - { - "e_fr_energy": -96.39092952, - "e_wo_entrp": -96.39092863, - "e_0_energy": -96.39092908 - }, - { - "e_fr_energy": -96.06892512, - "e_wo_entrp": -96.06892512, - "e_0_energy": -96.06892512 - }, - { - "e_fr_energy": -95.94727922, - "e_wo_entrp": -95.94718769, - "e_0_energy": -95.94723345 - }, - { - "e_fr_energy": -95.93465203, - "e_wo_entrp": -95.93465202, - "e_0_energy": -95.93465203 - }, - { - "e_fr_energy": -95.92274116, - "e_wo_entrp": -95.92274115, - "e_0_energy": -95.92274116 - }, - { - "e_fr_energy": -95.92272662, - "e_wo_entrp": -95.92272638, - "e_0_energy": -95.9227265 - }, - { - "alphaZ": 408.90691334, - "ewald": -7654.89884753, - "hartreedc": -2595.60931743, - "XCdc": 466.0660531, - "pawpsdc": 6875.61661849, - "pawaedc": -7595.86131582, - "eentropy": -1.4e-07, - "bandstr": -1627.52554389, - "atom": 11627.38242469, - "e_fr_energy": -95.92301519, - "e_wo_entrp": -95.92301504, - "e_0_energy": -95.92301511 - } - ], - "structure": { - "@module": "pymatgen.core.structure", - "@class": "Structure", - "lattice": { - "matrix": [ - [ - 9.054455, - 0.0, - 0.0 - ], - [ - 0.0, - 4.500098, - 0.0 - ], - [ - 0.0, - 0.0, - 4.500098 - ] - ], - "a": 9.054455, - "b": 4.500098, - "c": 4.500098, - "alpha": 90.0, - "beta": 90.0, - "gamma": 90.0, - "volume": 183.360699866269 - }, - "sites": [ - { - "species": [ - { - "element": "Na", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.0, - 0.0 - ], - "xyz": [ - 4.5272275, - 0.0, - 0.0 - ], - "label": "Na" - }, - { - "species": [ - { - "element": "Ce", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.0, - 0.0 - ], - "xyz": [ - 0.0, - 0.0, - 0.0 - ], - "label": "Ce" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.5, - 0.5 - ], - "xyz": [ - 0.0, - 2.250049, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.5, - 0.5 - ], - "xyz": [ - 4.5272275, - 2.250049, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.277328, - 0.0, - 0.5 - ], - "xyz": [ - 2.51105389624, - 0.0, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.722672, - 0.0, - 0.5 - ], - "xyz": [ - 6.54340110376, - 0.0, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.277328, - 0.5, - 0.0 - ], - "xyz": [ - 2.51105389624, - 2.250049, - 0.0 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.722672, - 0.5, - 0.0 - ], - "xyz": [ - 6.54340110376, - 2.250049, - 0.0 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.251454, - 0.0, - 0.0 - ], - "xyz": [ - 2.27677892757, - 0.0, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.748546, - 0.0, - 0.0 - ], - "xyz": [ - 6.77767607243, - 0.0, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.249135, - 0.5, - 0.5 - ], - "xyz": [ - 2.255781646425, - 2.250049, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.750865, - 0.5, - 0.5 - ], - "xyz": [ - 6.798673353575, - 2.250049, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.0, - 0.5 - ], - "xyz": [ - 0.0, - 0.0, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.0, - 0.5 - ], - "xyz": [ - 4.5272275, - 0.0, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.5, - 0.0 - ], - "xyz": [ - 0.0, - 2.250049, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.5, - 0.0 - ], - "xyz": [ - 4.5272275, - 2.250049, - 0.0 - ], - "label": "O" - } - ] - } - } - ], - "efermi": 8.32017148, - "bandgap": 0.349, - "cbm": 8.4947, - "vbm": 8.1457, - "is_gap_direct": true, - "epsilon_static": [], - "epsilon_static_wolfe": [], - "epsilon_ionic": [], - "structure": { - "@module": "pymatgen.core.structure", - "@class": "Structure", - "lattice": { - "matrix": [ - [ - 9.054455, - 0.0, - 0.0 - ], - [ - 0.0, - 4.500098, - 0.0 - ], - [ - 0.0, - 0.0, - 4.500098 - ] - ], - "a": 9.054455, - "b": 4.500098, - "c": 4.500098, - "alpha": 90.0, - "beta": 90.0, - "gamma": 90.0, - "volume": 183.360699866269 - }, - "sites": [ - { - "species": [ - { - "element": "Na", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.0, - 0.0 - ], - "xyz": [ - 4.5272275, - 0.0, - 0.0 - ], - "label": "Na" - }, - { - "species": [ - { - "element": "Ce", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.0, - 0.0 - ], - "xyz": [ - 0.0, - 0.0, - 0.0 - ], - "label": "Ce" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.5, - 0.5 - ], - "xyz": [ - 0.0, - 2.250049, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.5, - 0.5 - ], - "xyz": [ - 4.5272275, - 2.250049, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.277328, - 0.0, - 0.5 - ], - "xyz": [ - 2.51105389624, - 0.0, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.722672, - 0.0, - 0.5 - ], - "xyz": [ - 6.54340110376, - 0.0, - 2.250049 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.277328, - 0.5, - 0.0 - ], - "xyz": [ - 2.51105389624, - 2.250049, - 0.0 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "Mg", - "occu": 1 - } - ], - "abc": [ - 0.722672, - 0.5, - 0.0 - ], - "xyz": [ - 6.54340110376, - 2.250049, - 0.0 - ], - "label": "Mg" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.251454, - 0.0, - 0.0 - ], - "xyz": [ - 2.27677892757, - 0.0, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.748546, - 0.0, - 0.0 - ], - "xyz": [ - 6.77767607243, - 0.0, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.249135, - 0.5, - 0.5 - ], - "xyz": [ - 2.255781646425, - 2.250049, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.750865, - 0.5, - 0.5 - ], - "xyz": [ - 6.798673353575, - 2.250049, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.0, - 0.5 - ], - "xyz": [ - 0.0, - 0.0, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.0, - 0.5 - ], - "xyz": [ - 4.5272275, - 0.0, - 2.250049 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.0, - 0.5, - 0.0 - ], - "xyz": [ - 0.0, - 2.250049, - 0.0 - ], - "label": "O" - }, - { - "species": [ - { - "element": "O", - "occu": 1 - } - ], - "abc": [ - 0.5, - 0.5, - 0.0 - ], - "xyz": [ - 4.5272275, - 2.250049, - 0.0 - ], - "label": "O" - } - ] - }, - "energy": -95.92301511, - "energy_per_atom": -5.995188444375, - "is_metal": false, - "outcar": { - "@module": "pymatgen.io.vasp.outputs", - "@class": "Outcar", - "efermi": 8.3202, - "magnetization": [ - { - "s": -0.0, - "p": -0.0, - "d": 0.0, - "f": 0.0, - "tot": -0.0 - }, - { - "s": -0.005, - "p": -0.009, - "d": 0.006, - "f": 0.896, - "tot": 0.888 - }, - { - "s": 0.0, - "p": 0.002, - "d": 0.0, - "f": 0.0, - "tot": 0.002 - }, - { - "s": 0.001, - "p": 0.0, - "d": 0.0, - "f": 0.0, - "tot": 0.002 - }, - { - "s": 0.001, - "p": 0.001, - "d": 0.0, - "f": 0.0, - "tot": 0.001 - }, - { - "s": 0.001, - "p": 0.001, - "d": 0.0, - "f": 0.0, - "tot": 0.001 - }, - { - "s": 0.001, - "p": 0.001, - "d": 0.0, - "f": 0.0, - "tot": 0.001 - }, - { - "s": 0.001, - "p": 0.001, - "d": 0.0, - "f": 0.0, - "tot": 0.001 - }, - { - "s": -0.0, - "p": -0.007, - "d": 0.0, - "f": 0.0, - "tot": -0.007 - }, - { - "s": -0.0, - "p": -0.007, - "d": 0.0, - "f": 0.0, - "tot": -0.007 - }, - { - "s": 0.002, - "p": 0.0, - "d": 0.0, - "f": 0.0, - "tot": 0.002 - }, - { - "s": 0.002, - "p": 0.0, - "d": 0.0, - "f": 0.0, - "tot": 0.002 - }, - { - "s": -0.001, - "p": -0.01, - "d": 0.0, - "f": 0.0, - "tot": -0.011 - }, - { - "s": 0.001, - "p": 0.001, - "d": 0.0, - "f": 0.0, - "tot": 0.001 - }, - { - "s": -0.001, - "p": -0.01, - "d": 0.0, - "f": 0.0, - "tot": -0.011 - }, - { - "s": 0.001, - "p": 0.001, - "d": 0.0, - "f": 0.0, - "tot": 0.001 - } - ], - "charge": [ - { - "s": 0.084, - "p": 6.047, - "d": 0.0, - "f": 0.0, - "tot": 6.132 - }, - { - "s": 2.034, - "p": 5.65, - "d": 0.734, - "f": 1.268, - "tot": 9.686 - }, - { - "s": 0.123, - "p": 6.098, - "d": 0.0, - "f": 0.0, - "tot": 6.221 - }, - { - "s": 0.129, - "p": 6.097, - "d": 0.0, - "f": 0.0, - "tot": 6.226 - }, - { - "s": 0.131, - "p": 6.103, - "d": 0.0, - "f": 0.0, - "tot": 6.234 - }, - { - "s": 0.131, - "p": 6.103, - "d": 0.0, - "f": 0.0, - "tot": 6.234 - }, - { - "s": 0.131, - "p": 6.103, - "d": 0.0, - "f": 0.0, - "tot": 6.234 - }, - { - "s": 0.131, - "p": 6.103, - "d": 0.0, - "f": 0.0, - "tot": 6.234 - }, - { - "s": 1.553, - "p": 3.474, - "d": 0.0, - "f": 0.0, - "tot": 5.027 - }, - { - "s": 1.553, - "p": 3.474, - "d": 0.0, - "f": 0.0, - "tot": 5.027 - }, - { - "s": 1.545, - "p": 3.443, - "d": 0.0, - "f": 0.0, - "tot": 4.987 - }, - { - "s": 1.545, - "p": 3.443, - "d": 0.0, - "f": 0.0, - "tot": 4.987 - }, - { - "s": 1.568, - "p": 3.482, - "d": 0.0, - "f": 0.0, - "tot": 5.051 - }, - { - "s": 1.543, - "p": 3.505, - "d": 0.0, - "f": 0.0, - "tot": 5.048 - }, - { - "s": 1.568, - "p": 3.483, - "d": 0.0, - "f": 0.0, - "tot": 5.051 - }, - { - "s": 1.543, - "p": 3.505, - "d": 0.0, - "f": 0.0, - "tot": 5.048 - } - ], - "total_magnetization": 1.0015542, - "nelect": 115.0000056, - "is_stopped": false - } - }, - "formula_pretty": "NaCeMg6O8", - "composition_reduced": { - "Na": 1.0, - "Ce": 1.0, - "Mg": 6.0, - "O": 8.0 - }, - "composition_unit_cell": { - "Na": 1.0, - "Ce": 1.0, - "Mg": 6.0, - "O": 8.0 - }, - "formula_anonymous": "ABC6D8", - "formula_reduced_abc": "Ce1 Mg6 Na1 O8", - "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2017-04-30-20-16-06-966571/launcher_2017-05-25-01-01-08-517085/launcher_2017-05-25-02-40-10-282024", - "completed_at": "2017-05-24 19:41:21.335824", - "task": { - "type": "standard", - "name": "standard" - }, - "dos_compression": "zlib", - "dos_fs_id": "598121c33a5f027ce8bde12e", - "bandstructure_compression": "zlib", - "bandstructure_fs_id": "598121c33a5f027ce8bde131" - } -] diff --git a/test_files/materials_Li_Fe_V.json b/test_files/materials_Li_Fe_V.json deleted file mode 100644 index edba5a946..000000000 --- a/test_files/materials_Li_Fe_V.json +++ /dev/null @@ -1 +0,0 @@ -[{"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d8a"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:47:50.518000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-12 19:56:45"}, "task_ids": ["mp-1058493", "mp-1058323", "mp-1059447", "mp-1058348", "mp-1061062", "mp-1057290", "mp-1061232", "mp-1058304", "mp-1057263", "mp-1058536", "mp-136", "mp-1056987", "mp-1058429", "mp-1057064", "mp-1061454", "mp-1059309", "mp-1059349", "mp-1058469", "mp-1057226", "mp-988274", "mp-1059387", "mp-1058055", "mp-1061532", "mp-1059376", "mp-988047", "mp-1059479", "mp-1061137", "mp-1058271", "mp-1057326", "mp-1059421", "mp-1058115", "mp-1440949", "mp-1059406", "mp-1061320", "mp-987272", "mp-1061407", "mp-1061163", "mp-1057027", "mp-1058094", "mp-1058154", "mp-1057111"], "deprecated_tasks": [], "task_id": "mp-136", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-1058348", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 07:18:57"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-1058348", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 07:18:57"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1440949", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:47:50.518000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1440949", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:47:50.518000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1440949", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:47:50.518000"}}], "task_types": {"mp-988047": "GGA NSCF Uniform", "mp-987272": "GGA Static", "mp-988274": "GGA NSCF Line", "mp-136": "GGA Structure Optimization", "mp-1057027": "GGA Static", "mp-1056987": "GGA Structure Optimization", "mp-1057064": "GGA NSCF Line", "mp-1057111": "GGA NSCF Uniform", "mp-1057226": "GGA Structure Optimization", "mp-1057263": "GGA Static", "mp-1057326": "GGA NSCF Uniform", "mp-1057290": "GGA NSCF Line", "mp-1058055": "GGA Structure Optimization", "mp-1058094": "GGA Static", "mp-1058154": "GGA NSCF Uniform", "mp-1058271": "GGA Structure Optimization", "mp-1058323": "GGA NSCF Line", "mp-1058304": "GGA Static", "mp-1058115": "GGA NSCF Line", "mp-1058348": "GGA NSCF Uniform", "mp-1058429": "GGA Structure Optimization", "mp-1058469": "GGA Static", "mp-1058493": "GGA NSCF Line", "mp-1058536": "GGA NSCF Uniform", "mp-1059309": "GGA Structure Optimization", "mp-1059376": "GGA NSCF Line", "mp-1059387": "GGA Structure Optimization", "mp-1059406": "GGA NSCF Uniform", "mp-1059349": "GGA Static", "mp-1059421": "GGA Static", "mp-1059447": "GGA NSCF Line", "mp-1059479": "GGA NSCF Uniform", "mp-1061137": "GGA Static", "mp-1061232": "GGA NSCF Uniform", "mp-1061062": "GGA Structure Optimization", "mp-1061407": "GGA Static", "mp-1061163": "GGA NSCF Line", "mp-1061454": "GGA NSCF Line", "mp-1061532": "GGA NSCF Uniform", "mp-1061320": "GGA Structure Optimization", "mp-1440949": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-1058493", "cbm": null, "dos_task": "mp-1058348", "efermi": 6.27682488, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-1058348", "vbm": null}, "energy": -16.74429473, "energy_per_atom": -8.372147365, "entries": {"gga": {"composition": {"Fe": 2.0}, "energy": -16.74429473, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1440949"}, "entry_id": "mp-136"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.233174, -2.135877, 0.0], [-1.233174, 2.135877, 0.0], [0.0, 0.0, -3.904598]], "a": 2.4663107414527063, "b": 2.4663107414527063, "c": 3.904598, "alpha": 90.0, "beta": 90.0, "gamma": 119.9990005266522, "volume": 20.568703689881566}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666673, 0.333327, 0.75], "xyz": [-1.233174, -0.7119860544419999, -2.9284485], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333327, 0.666673, 0.25], "xyz": [-1.233174, 0.7119860544419999, -0.9761495], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 24, "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 1058, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.00337837837838, 0.0, 0.0], [0.00675675675676, 0.0, 0.0], [0.0101351351351, -8.67361737988e-19, 0.0], [0.0135135135135, 0.0, 0.0], [0.0168918918919, 0.0, 0.0], [0.0202702702703, -1.73472347598e-18, 0.0], [0.0236486486486, -1.73472347598e-18, 0.0], [0.027027027027, 0.0, 0.0], [0.0304054054054, -1.73472347598e-18, 0.0], [0.0337837837838, 0.0, 0.0], [0.0371621621622, 0.0, 0.0], [0.0405405405405, -3.46944695195e-18, 0.0], [0.0439189189189, 0.0, 0.0], [0.0472972972973, -3.46944695195e-18, 0.0], [0.0506756756757, 0.0, 0.0], [0.0540540540541, 0.0, 0.0], [0.0574324324324, 0.0, 0.0], [0.0608108108108, -3.46944695195e-18, 0.0], [0.0641891891892, 0.0, 0.0], [0.0675675675676, 0.0, 0.0], [0.0709459459459, 0.0, 0.0], [0.0743243243243, 0.0, 0.0], [0.0777027027027, 0.0, 0.0], [0.0810810810811, -6.93889390391e-18, 0.0], [0.0844594594595, -6.93889390391e-18, 0.0], [0.0878378378378, 0.0, 0.0], [0.0912162162162, 0.0, 0.0], [0.0945945945946, -6.93889390391e-18, 0.0], [0.097972972973, 0.0, 0.0], [0.101351351351, 0.0, 0.0], [0.10472972973, 0.0, 0.0], [0.108108108108, 0.0, 0.0], [0.111486486486, -6.93889390391e-18, 0.0], [0.114864864865, 0.0, 0.0], [0.118243243243, -6.93889390391e-18, 0.0], [0.121621621622, -6.93889390391e-18, 0.0], [0.125, -6.93889390391e-18, 0.0], [0.128378378378, 0.0, 0.0], [0.131756756757, 0.0, 0.0], [0.135135135135, 0.0, 0.0], [0.138513513514, 0.0, 0.0], [0.141891891892, 0.0, 0.0], [0.14527027027, 0.0, 0.0], [0.148648648649, 0.0, 0.0], [0.152027027027, 0.0, 0.0], [0.155405405405, 0.0, 0.0], [0.158783783784, -1.38777878078e-17, 0.0], [0.162162162162, -1.38777878078e-17, 0.0], [0.165540540541, 0.0, 0.0], [0.168918918919, -1.38777878078e-17, 0.0], [0.172297297297, 0.0, 0.0], [0.175675675676, 0.0, 0.0], [0.179054054054, -1.38777878078e-17, 0.0], [0.182432432432, 0.0, 0.0], [0.185810810811, 0.0, 0.0], [0.189189189189, -1.38777878078e-17, 0.0], [0.192567567568, 0.0, 0.0], [0.195945945946, 0.0, 0.0], [0.199324324324, 0.0, 0.0], [0.202702702703, 0.0, 0.0], [0.206081081081, 0.0, 0.0], [0.209459459459, 0.0, 0.0], [0.212837837838, -1.38777878078e-17, 0.0], [0.216216216216, 0.0, 0.0], [0.219594594595, 0.0, 0.0], [0.222972972973, -1.38777878078e-17, 0.0], [0.226351351351, -1.38777878078e-17, 0.0], [0.22972972973, 0.0, 0.0], [0.233108108108, -1.38777878078e-17, 0.0], [0.236486486486, -1.38777878078e-17, 0.0], [0.239864864865, 0.0, 0.0], [0.243243243243, -1.38777878078e-17, 0.0], [0.246621621622, -1.38777878078e-17, 0.0], [0.25, -1.38777878078e-17, 0.0], [0.253378378378, -2.77555756156e-17, 0.0], [0.256756756757, 0.0, 0.0], [0.260135135135, 0.0, 0.0], [0.263513513514, 0.0, 0.0], [0.266891891892, 0.0, 0.0], [0.27027027027, 0.0, 0.0], [0.273648648649, 0.0, 0.0], [0.277027027027, 0.0, 0.0], [0.280405405405, 0.0, 0.0], [0.283783783784, 0.0, 0.0], [0.287162162162, 0.0, 0.0], [0.290540540541, 0.0, 0.0], [0.293918918919, 0.0, 0.0], [0.297297297297, 0.0, 0.0], [0.300675675676, 0.0, 0.0], [0.304054054054, 0.0, 0.0], [0.307432432432, 0.0, 0.0], [0.310810810811, 0.0, 0.0], [0.314189189189, 0.0, 0.0], [0.317567567568, -2.77555756156e-17, 0.0], [0.320945945946, 0.0, 0.0], [0.324324324324, -2.77555756156e-17, 0.0], [0.327702702703, -2.77555756156e-17, 0.0], [0.331081081081, 0.0, 0.0], [0.334459459459, -2.77555756156e-17, 0.0], [0.337837837838, -2.77555756156e-17, 0.0], [0.341216216216, -2.77555756156e-17, 0.0], [0.344594594595, 0.0, 0.0], [0.347972972973, 0.0, 0.0], [0.351351351351, 0.0, 0.0], [0.35472972973, 0.0, 0.0], [0.358108108108, -2.77555756156e-17, 0.0], [0.361486486486, 0.0, 0.0], [0.364864864865, 0.0, 0.0], [0.368243243243, -5.55111512313e-17, 0.0], [0.371621621622, 0.0, 0.0], [0.375, 2.77555756156e-17, 0.0], [0.378378378378, -2.77555756156e-17, 0.0], [0.381756756757, 0.0, 0.0], [0.385135135135, 0.0, 0.0], [0.388513513514, -2.77555756156e-17, 0.0], [0.391891891892, 0.0, 0.0], [0.39527027027, -2.77555756156e-17, 0.0], [0.398648648649, 0.0, 0.0], [0.402027027027, -5.55111512313e-17, 0.0], [0.405405405405, 0.0, 0.0], [0.408783783784, -2.77555756156e-17, 0.0], [0.412162162162, 0.0, 0.0], [0.415540540541, 0.0, 0.0], [0.418918918919, 0.0, 0.0], [0.422297297297, -2.77555756156e-17, 0.0], [0.425675675676, -2.77555756156e-17, 0.0], [0.429054054054, -5.55111512313e-17, 0.0], [0.432432432432, 0.0, 0.0], [0.435810810811, 0.0, 0.0], [0.439189189189, 0.0, 0.0], [0.442567567568, 0.0, 0.0], [0.445945945946, -2.77555756156e-17, 0.0], [0.449324324324, -2.77555756156e-17, 0.0], [0.452702702703, -2.77555756156e-17, 0.0], [0.456081081081, -2.77555756156e-17, 0.0], [0.459459459459, 0.0, 0.0], [0.462837837838, 0.0, 0.0], [0.466216216216, -2.77555756156e-17, 0.0], [0.469594594595, -2.77555756156e-17, 0.0], [0.472972972973, -2.77555756156e-17, 0.0], [0.476351351351, 0.0, 0.0], [0.47972972973, 0.0, 0.0], [0.483108108108, -2.77555756156e-17, 0.0], [0.486486486486, -2.77555756156e-17, 0.0], [0.489864864865, -2.77555756156e-17, 0.0], [0.493243243243, -2.77555756156e-17, 0.0], [0.496621621622, -2.77555756156e-17, 0.0], [0.5, -2.77555756156e-17, 0.0], [0.5, -2.77555756156e-17, 0.0], [0.498039215686, 0.00392156862745, 0.0], [0.496078431373, 0.0078431372549, 0.0], [0.494117647059, 0.0117647058824, 0.0], [0.492156862745, 0.0156862745098, 0.0], [0.490196078431, 0.0196078431373, 0.0], [0.488235294118, 0.0235294117647, 0.0], [0.486274509804, 0.0274509803922, 0.0], [0.48431372549, 0.0313725490196, 0.0], [0.482352941176, 0.0352941176471, 0.0], [0.480392156863, 0.0392156862745, 0.0], [0.478431372549, 0.043137254902, 0.0], [0.476470588235, 0.0470588235294, 0.0], [0.474509803922, 0.0509803921569, 0.0], [0.472549019608, 0.0549019607843, 0.0], [0.470588235294, 0.0588235294118, 0.0], [0.46862745098, 0.0627450980392, 0.0], [0.466666666667, 0.0666666666667, 0.0], [0.464705882353, 0.0705882352941, 0.0], [0.462745098039, 0.0745098039216, 0.0], [0.460784313725, 0.078431372549, 0.0], [0.458823529412, 0.0823529411765, 0.0], [0.456862745098, 0.0862745098039, 0.0], [0.454901960784, 0.0901960784314, 0.0], [0.452941176471, 0.0941176470588, 0.0], [0.450980392157, 0.0980392156863, 0.0], [0.449019607843, 0.101960784314, 0.0], [0.447058823529, 0.105882352941, 0.0], [0.445098039216, 0.109803921569, 0.0], [0.443137254902, 0.113725490196, 0.0], [0.441176470588, 0.117647058824, 0.0], [0.439215686275, 0.121568627451, 0.0], [0.437254901961, 0.125490196078, 0.0], [0.435294117647, 0.129411764706, 0.0], [0.433333333333, 0.133333333333, 0.0], [0.43137254902, 0.137254901961, 0.0], [0.429411764706, 0.141176470588, 0.0], [0.427450980392, 0.145098039216, 0.0], [0.425490196078, 0.149019607843, 0.0], [0.423529411765, 0.152941176471, 0.0], [0.421568627451, 0.156862745098, 0.0], [0.419607843137, 0.160784313725, 0.0], [0.417647058824, 0.164705882353, 0.0], [0.41568627451, 0.16862745098, 0.0], [0.413725490196, 0.172549019608, 0.0], [0.411764705882, 0.176470588235, 0.0], [0.409803921569, 0.180392156863, 0.0], [0.407843137255, 0.18431372549, 0.0], [0.405882352941, 0.188235294118, 0.0], [0.403921568627, 0.192156862745, 0.0], [0.401960784314, 0.196078431373, 0.0], [0.4, 0.2, 0.0], [0.398039215686, 0.203921568627, 0.0], [0.396078431373, 0.207843137255, 0.0], [0.394117647059, 0.211764705882, 0.0], [0.392156862745, 0.21568627451, 0.0], [0.390196078431, 0.219607843137, 0.0], [0.388235294118, 0.223529411765, 0.0], [0.386274509804, 0.227450980392, 0.0], [0.38431372549, 0.23137254902, 0.0], [0.382352941176, 0.235294117647, 0.0], [0.380392156863, 0.239215686275, 0.0], [0.378431372549, 0.243137254902, 0.0], [0.376470588235, 0.247058823529, 0.0], [0.374509803922, 0.250980392157, 0.0], [0.372549019608, 0.254901960784, 0.0], [0.370588235294, 0.258823529412, 0.0], [0.36862745098, 0.262745098039, 0.0], [0.366666666667, 0.266666666667, 0.0], [0.364705882353, 0.270588235294, 0.0], [0.362745098039, 0.274509803922, 0.0], [0.360784313725, 0.278431372549, 0.0], [0.358823529412, 0.282352941176, 0.0], [0.356862745098, 0.286274509804, 0.0], [0.354901960784, 0.290196078431, 0.0], [0.352941176471, 0.294117647059, 0.0], [0.350980392157, 0.298039215686, 0.0], [0.349019607843, 0.301960784314, 0.0], [0.347058823529, 0.305882352941, 0.0], [0.345098039216, 0.309803921569, 0.0], [0.343137254902, 0.313725490196, 0.0], [0.341176470588, 0.317647058824, 0.0], [0.339215686275, 0.321568627451, 0.0], [0.337254901961, 0.325490196078, 0.0], [0.335294117647, 0.329411764706, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.33137254902, 0.33137254902, 0.0], [0.329411764706, 0.329411764706, 0.0], [0.327450980392, 0.327450980392, 0.0], [0.325490196078, 0.325490196078, 0.0], [0.323529411765, 0.323529411765, 0.0], [0.321568627451, 0.321568627451, 0.0], [0.319607843137, 0.319607843137, 0.0], [0.317647058824, 0.317647058824, 0.0], [0.31568627451, 0.31568627451, 0.0], [0.313725490196, 0.313725490196, 0.0], [0.311764705882, 0.311764705882, 0.0], [0.309803921569, 0.309803921569, 0.0], [0.307843137255, 0.307843137255, 0.0], [0.305882352941, 0.305882352941, 0.0], [0.303921568627, 0.303921568627, 0.0], [0.301960784314, 0.301960784314, 0.0], [0.3, 0.3, 0.0], [0.298039215686, 0.298039215686, 0.0], [0.296078431373, 0.296078431373, 0.0], [0.294117647059, 0.294117647059, 0.0], [0.292156862745, 0.292156862745, 0.0], [0.290196078431, 0.290196078431, 0.0], [0.288235294118, 0.288235294118, 0.0], [0.286274509804, 0.286274509804, 0.0], [0.28431372549, 0.28431372549, 0.0], [0.282352941176, 0.282352941176, 0.0], [0.280392156863, 0.280392156863, 0.0], [0.278431372549, 0.278431372549, 0.0], [0.276470588235, 0.276470588235, 0.0], [0.274509803922, 0.274509803922, 0.0], [0.272549019608, 0.272549019608, 0.0], [0.270588235294, 0.270588235294, 0.0], [0.26862745098, 0.26862745098, 0.0], [0.266666666667, 0.266666666667, 0.0], [0.264705882353, 0.264705882353, 0.0], [0.262745098039, 0.262745098039, 0.0], [0.260784313725, 0.260784313725, 0.0], [0.258823529412, 0.258823529412, 0.0], [0.256862745098, 0.256862745098, 0.0], [0.254901960784, 0.254901960784, 0.0], [0.252941176471, 0.252941176471, 0.0], [0.250980392157, 0.250980392157, 0.0], [0.249019607843, 0.249019607843, 0.0], [0.247058823529, 0.247058823529, 0.0], [0.245098039216, 0.245098039216, 0.0], [0.243137254902, 0.243137254902, 0.0], [0.241176470588, 0.241176470588, 0.0], [0.239215686275, 0.239215686275, 0.0], [0.237254901961, 0.237254901961, 0.0], [0.235294117647, 0.235294117647, 0.0], [0.233333333333, 0.233333333333, 0.0], [0.23137254902, 0.23137254902, 0.0], [0.229411764706, 0.229411764706, 0.0], [0.227450980392, 0.227450980392, 0.0], [0.225490196078, 0.225490196078, 0.0], [0.223529411765, 0.223529411765, 0.0], [0.221568627451, 0.221568627451, 0.0], [0.219607843137, 0.219607843137, 0.0], [0.217647058824, 0.217647058824, 0.0], [0.21568627451, 0.21568627451, 0.0], [0.213725490196, 0.213725490196, 0.0], [0.211764705882, 0.211764705882, 0.0], [0.209803921569, 0.209803921569, 0.0], [0.207843137255, 0.207843137255, 0.0], [0.205882352941, 0.205882352941, 0.0], [0.203921568627, 0.203921568627, 0.0], [0.201960784314, 0.201960784314, 0.0], [0.2, 0.2, 0.0], [0.198039215686, 0.198039215686, 0.0], [0.196078431373, 0.196078431373, 0.0], [0.194117647059, 0.194117647059, 0.0], [0.192156862745, 0.192156862745, 0.0], [0.190196078431, 0.190196078431, 0.0], [0.188235294118, 0.188235294118, 0.0], [0.186274509804, 0.186274509804, 0.0], [0.18431372549, 0.18431372549, 0.0], [0.182352941176, 0.182352941176, 0.0], [0.180392156863, 0.180392156863, 0.0], [0.178431372549, 0.178431372549, 0.0], [0.176470588235, 0.176470588235, 0.0], [0.174509803922, 0.174509803922, 0.0], [0.172549019608, 0.172549019608, 0.0], [0.170588235294, 0.170588235294, 0.0], [0.16862745098, 0.16862745098, 0.0], [0.166666666667, 0.166666666667, 0.0], [0.164705882353, 0.164705882353, 0.0], [0.162745098039, 0.162745098039, 0.0], [0.160784313725, 0.160784313725, 0.0], [0.158823529412, 0.158823529412, 0.0], [0.156862745098, 0.156862745098, 0.0], [0.154901960784, 0.154901960784, 0.0], [0.152941176471, 0.152941176471, 0.0], [0.150980392157, 0.150980392157, 0.0], [0.149019607843, 0.149019607843, 0.0], [0.147058823529, 0.147058823529, 0.0], [0.145098039216, 0.145098039216, 0.0], [0.143137254902, 0.143137254902, 0.0], [0.141176470588, 0.141176470588, 0.0], [0.139215686275, 0.139215686275, 0.0], [0.137254901961, 0.137254901961, 0.0], [0.135294117647, 0.135294117647, 0.0], [0.133333333333, 0.133333333333, 0.0], [0.13137254902, 0.13137254902, 0.0], [0.129411764706, 0.129411764706, 0.0], [0.127450980392, 0.127450980392, 0.0], [0.125490196078, 0.125490196078, 0.0], [0.123529411765, 0.123529411765, 0.0], [0.121568627451, 0.121568627451, 0.0], [0.119607843137, 0.119607843137, 0.0], [0.117647058824, 0.117647058824, 0.0], [0.11568627451, 0.11568627451, 0.0], [0.113725490196, 0.113725490196, 0.0], [0.111764705882, 0.111764705882, 0.0], [0.109803921569, 0.109803921569, 0.0], [0.107843137255, 0.107843137255, 0.0], [0.105882352941, 0.105882352941, 0.0], [0.103921568627, 0.103921568627, 0.0], [0.101960784314, 0.101960784314, 0.0], [0.1, 0.1, 0.0], [0.0980392156863, 0.0980392156863, 0.0], [0.0960784313725, 0.0960784313725, 0.0], [0.0941176470588, 0.0941176470588, 0.0], [0.0921568627451, 0.0921568627451, 0.0], [0.0901960784314, 0.0901960784314, 0.0], [0.0882352941176, 0.0882352941176, 0.0], [0.0862745098039, 0.0862745098039, 0.0], [0.0843137254902, 0.0843137254902, 0.0], [0.0823529411765, 0.0823529411765, 0.0], [0.0803921568627, 0.0803921568627, 0.0], [0.078431372549, 0.078431372549, 0.0], [0.0764705882353, 0.0764705882353, 0.0], [0.0745098039216, 0.0745098039216, 0.0], [0.0725490196078, 0.0725490196078, 0.0], [0.0705882352941, 0.0705882352941, 0.0], [0.0686274509804, 0.0686274509804, 0.0], [0.0666666666667, 0.0666666666667, 0.0], [0.0647058823529, 0.0647058823529, 0.0], [0.0627450980392, 0.0627450980392, 0.0], [0.0607843137255, 0.0607843137255, 0.0], [0.0588235294118, 0.0588235294118, 0.0], [0.056862745098, 0.056862745098, 0.0], [0.0549019607843, 0.0549019607843, 0.0], [0.0529411764706, 0.0529411764706, 0.0], [0.0509803921569, 0.0509803921569, 0.0], [0.0490196078431, 0.0490196078431, 0.0], [0.0470588235294, 0.0470588235294, 0.0], [0.0450980392157, 0.0450980392157, 0.0], [0.043137254902, 0.043137254902, 0.0], [0.0411764705882, 0.0411764705882, 0.0], [0.0392156862745, 0.0392156862745, 0.0], [0.0372549019608, 0.0372549019608, 0.0], [0.0352941176471, 0.0352941176471, 0.0], [0.0333333333333, 0.0333333333333, 0.0], [0.0313725490196, 0.0313725490196, 0.0], [0.0294117647059, 0.0294117647059, 0.0], [0.0274509803922, 0.0274509803922, 0.0], [0.0254901960784, 0.0254901960784, 0.0], [0.0235294117647, 0.0235294117647, 0.0], [0.021568627451, 0.021568627451, 0.0], [0.0196078431373, 0.0196078431373, 0.0], [0.0176470588235, 0.0176470588235, 0.0], [0.0156862745098, 0.0156862745098, 0.0], [0.0137254901961, 0.0137254901961, 0.0], [0.0117647058824, 0.0117647058824, 0.0], [0.00980392156863, 0.00980392156863, 0.0], [0.0078431372549, 0.0078431372549, 0.0], [0.00588235294118, 0.00588235294118, 0.0], [0.00392156862745, 0.00392156862745, 0.0], [0.00196078431373, 0.00196078431373, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.00617283950617], [0.0, 0.0, 0.0123456790123], [0.0, 0.0, 0.0185185185185], [0.0, 0.0, 0.0246913580247], [0.0, 0.0, 0.0308641975309], [0.0, 0.0, 0.037037037037], [0.0, 0.0, 0.0432098765432], [0.0, 0.0, 0.0493827160494], [0.0, 0.0, 0.0555555555556], [0.0, 0.0, 0.0617283950617], [0.0, 0.0, 0.0679012345679], [0.0, 0.0, 0.0740740740741], [0.0, 0.0, 0.0802469135802], [0.0, 0.0, 0.0864197530864], [0.0, 0.0, 0.0925925925926], [0.0, 0.0, 0.0987654320988], [0.0, 0.0, 0.104938271605], [0.0, 0.0, 0.111111111111], [0.0, 0.0, 0.117283950617], [0.0, 0.0, 0.123456790123], [0.0, 0.0, 0.12962962963], [0.0, 0.0, 0.135802469136], [0.0, 0.0, 0.141975308642], [0.0, 0.0, 0.148148148148], [0.0, 0.0, 0.154320987654], [0.0, 0.0, 0.16049382716], [0.0, 0.0, 0.166666666667], [0.0, 0.0, 0.172839506173], [0.0, 0.0, 0.179012345679], [0.0, 0.0, 0.185185185185], [0.0, 0.0, 0.191358024691], [0.0, 0.0, 0.197530864198], [0.0, 0.0, 0.203703703704], [0.0, 0.0, 0.20987654321], [0.0, 0.0, 0.216049382716], [0.0, 0.0, 0.222222222222], [0.0, 0.0, 0.228395061728], [0.0, 0.0, 0.234567901235], [0.0, 0.0, 0.240740740741], [0.0, 0.0, 0.246913580247], [0.0, 0.0, 0.253086419753], [0.0, 0.0, 0.259259259259], [0.0, 0.0, 0.265432098765], [0.0, 0.0, 0.271604938272], [0.0, 0.0, 0.277777777778], [0.0, 0.0, 0.283950617284], [0.0, 0.0, 0.29012345679], [0.0, 0.0, 0.296296296296], [0.0, 0.0, 0.302469135802], [0.0, 0.0, 0.308641975309], [0.0, 0.0, 0.314814814815], [0.0, 0.0, 0.320987654321], [0.0, 0.0, 0.327160493827], [0.0, 0.0, 0.333333333333], [0.0, 0.0, 0.33950617284], [0.0, 0.0, 0.345679012346], [0.0, 0.0, 0.351851851852], [0.0, 0.0, 0.358024691358], [0.0, 0.0, 0.364197530864], [0.0, 0.0, 0.37037037037], [0.0, 0.0, 0.376543209877], [0.0, 0.0, 0.382716049383], [0.0, 0.0, 0.388888888889], [0.0, 0.0, 0.395061728395], [0.0, 0.0, 0.401234567901], [0.0, 0.0, 0.407407407407], [0.0, 0.0, 0.413580246914], [0.0, 0.0, 0.41975308642], [0.0, 0.0, 0.425925925926], [0.0, 0.0, 0.432098765432], [0.0, 0.0, 0.438271604938], [0.0, 0.0, 0.444444444444], [0.0, 0.0, 0.450617283951], [0.0, 0.0, 0.456790123457], [0.0, 0.0, 0.462962962963], [0.0, 0.0, 0.469135802469], [0.0, 0.0, 0.475308641975], [0.0, 0.0, 0.481481481481], [0.0, 0.0, 0.487654320988], [0.0, 0.0, 0.493827160494], [0.0, 0.0, 0.5], [0.0, 0.0, 0.5], [0.00337837837838, 0.0, 0.5], [0.00675675675676, 0.0, 0.5], [0.0101351351351, -8.67361737988e-19, 0.5], [0.0135135135135, 0.0, 0.5], [0.0168918918919, 0.0, 0.5], [0.0202702702703, -1.73472347598e-18, 0.5], [0.0236486486486, -1.73472347598e-18, 0.5], [0.027027027027, 0.0, 0.5], [0.0304054054054, -1.73472347598e-18, 0.5], [0.0337837837838, 0.0, 0.5], [0.0371621621622, 0.0, 0.5], [0.0405405405405, -3.46944695195e-18, 0.5], [0.0439189189189, 0.0, 0.5], [0.0472972972973, -3.46944695195e-18, 0.5], [0.0506756756757, 0.0, 0.5], [0.0540540540541, 0.0, 0.5], [0.0574324324324, 0.0, 0.5], [0.0608108108108, -3.46944695195e-18, 0.5], [0.0641891891892, 0.0, 0.5], [0.0675675675676, 0.0, 0.5], [0.0709459459459, 0.0, 0.5], [0.0743243243243, 0.0, 0.5], [0.0777027027027, 0.0, 0.5], [0.0810810810811, -6.93889390391e-18, 0.5], [0.0844594594595, -6.93889390391e-18, 0.5], [0.0878378378378, 0.0, 0.5], [0.0912162162162, 0.0, 0.5], [0.0945945945946, -6.93889390391e-18, 0.5], [0.097972972973, 0.0, 0.5], [0.101351351351, 0.0, 0.5], [0.10472972973, 0.0, 0.5], [0.108108108108, 0.0, 0.5], [0.111486486486, -6.93889390391e-18, 0.5], [0.114864864865, 0.0, 0.5], [0.118243243243, -6.93889390391e-18, 0.5], [0.121621621622, -6.93889390391e-18, 0.5], [0.125, -6.93889390391e-18, 0.5], [0.128378378378, 0.0, 0.5], [0.131756756757, 0.0, 0.5], [0.135135135135, 0.0, 0.5], [0.138513513514, 0.0, 0.5], [0.141891891892, 0.0, 0.5], [0.14527027027, 0.0, 0.5], [0.148648648649, 0.0, 0.5], [0.152027027027, 0.0, 0.5], [0.155405405405, 0.0, 0.5], [0.158783783784, -1.38777878078e-17, 0.5], [0.162162162162, -1.38777878078e-17, 0.5], [0.165540540541, 0.0, 0.5], [0.168918918919, -1.38777878078e-17, 0.5], [0.172297297297, 0.0, 0.5], [0.175675675676, 0.0, 0.5], [0.179054054054, -1.38777878078e-17, 0.5], [0.182432432432, 0.0, 0.5], [0.185810810811, 0.0, 0.5], [0.189189189189, -1.38777878078e-17, 0.5], [0.192567567568, 0.0, 0.5], [0.195945945946, 0.0, 0.5], [0.199324324324, 0.0, 0.5], [0.202702702703, 0.0, 0.5], [0.206081081081, 0.0, 0.5], [0.209459459459, 0.0, 0.5], [0.212837837838, -1.38777878078e-17, 0.5], [0.216216216216, 0.0, 0.5], [0.219594594595, 0.0, 0.5], [0.222972972973, -1.38777878078e-17, 0.5], [0.226351351351, -1.38777878078e-17, 0.5], [0.22972972973, 0.0, 0.5], [0.233108108108, -1.38777878078e-17, 0.5], [0.236486486486, -1.38777878078e-17, 0.5], [0.239864864865, 0.0, 0.5], [0.243243243243, -1.38777878078e-17, 0.5], [0.246621621622, -1.38777878078e-17, 0.5], [0.25, -1.38777878078e-17, 0.5], [0.253378378378, -2.77555756156e-17, 0.5], [0.256756756757, 0.0, 0.5], [0.260135135135, 0.0, 0.5], [0.263513513514, 0.0, 0.5], [0.266891891892, 0.0, 0.5], [0.27027027027, 0.0, 0.5], [0.273648648649, 0.0, 0.5], [0.277027027027, 0.0, 0.5], [0.280405405405, 0.0, 0.5], [0.283783783784, 0.0, 0.5], [0.287162162162, 0.0, 0.5], [0.290540540541, 0.0, 0.5], [0.293918918919, 0.0, 0.5], [0.297297297297, 0.0, 0.5], [0.300675675676, 0.0, 0.5], [0.304054054054, 0.0, 0.5], [0.307432432432, 0.0, 0.5], [0.310810810811, 0.0, 0.5], [0.314189189189, 0.0, 0.5], [0.317567567568, -2.77555756156e-17, 0.5], [0.320945945946, 0.0, 0.5], [0.324324324324, -2.77555756156e-17, 0.5], [0.327702702703, -2.77555756156e-17, 0.5], [0.331081081081, 0.0, 0.5], [0.334459459459, -2.77555756156e-17, 0.5], [0.337837837838, -2.77555756156e-17, 0.5], [0.341216216216, -2.77555756156e-17, 0.5], [0.344594594595, 0.0, 0.5], [0.347972972973, 0.0, 0.5], [0.351351351351, 0.0, 0.5], [0.35472972973, 0.0, 0.5], [0.358108108108, -2.77555756156e-17, 0.5], [0.361486486486, 0.0, 0.5], [0.364864864865, 0.0, 0.5], [0.368243243243, -5.55111512313e-17, 0.5], [0.371621621622, 0.0, 0.5], [0.375, 2.77555756156e-17, 0.5], [0.378378378378, -2.77555756156e-17, 0.5], [0.381756756757, 0.0, 0.5], [0.385135135135, 0.0, 0.5], [0.388513513514, -2.77555756156e-17, 0.5], [0.391891891892, 0.0, 0.5], [0.39527027027, -2.77555756156e-17, 0.5], [0.398648648649, 0.0, 0.5], [0.402027027027, -5.55111512313e-17, 0.5], [0.405405405405, 0.0, 0.5], [0.408783783784, -2.77555756156e-17, 0.5], [0.412162162162, 0.0, 0.5], [0.415540540541, 0.0, 0.5], [0.418918918919, 0.0, 0.5], [0.422297297297, -2.77555756156e-17, 0.5], [0.425675675676, -2.77555756156e-17, 0.5], [0.429054054054, -5.55111512313e-17, 0.5], [0.432432432432, 0.0, 0.5], [0.435810810811, 0.0, 0.5], [0.439189189189, 0.0, 0.5], [0.442567567568, 0.0, 0.5], [0.445945945946, -2.77555756156e-17, 0.5], [0.449324324324, -2.77555756156e-17, 0.5], [0.452702702703, -2.77555756156e-17, 0.5], [0.456081081081, -2.77555756156e-17, 0.5], [0.459459459459, 0.0, 0.5], [0.462837837838, 0.0, 0.5], [0.466216216216, -2.77555756156e-17, 0.5], [0.469594594595, -2.77555756156e-17, 0.5], [0.472972972973, -2.77555756156e-17, 0.5], [0.476351351351, 0.0, 0.5], [0.47972972973, 0.0, 0.5], [0.483108108108, -2.77555756156e-17, 0.5], [0.486486486486, -2.77555756156e-17, 0.5], [0.489864864865, -2.77555756156e-17, 0.5], [0.493243243243, -2.77555756156e-17, 0.5], [0.496621621622, -2.77555756156e-17, 0.5], [0.5, -2.77555756156e-17, 0.5], [0.5, -2.77555756156e-17, 0.5], [0.498039215686, 0.00392156862745, 0.5], [0.496078431373, 0.0078431372549, 0.5], [0.494117647059, 0.0117647058824, 0.5], [0.492156862745, 0.0156862745098, 0.5], [0.490196078431, 0.0196078431373, 0.5], [0.488235294118, 0.0235294117647, 0.5], [0.486274509804, 0.0274509803922, 0.5], [0.48431372549, 0.0313725490196, 0.5], [0.482352941176, 0.0352941176471, 0.5], [0.480392156863, 0.0392156862745, 0.5], [0.478431372549, 0.043137254902, 0.5], [0.476470588235, 0.0470588235294, 0.5], [0.474509803922, 0.0509803921569, 0.5], [0.472549019608, 0.0549019607843, 0.5], [0.470588235294, 0.0588235294118, 0.5], [0.46862745098, 0.0627450980392, 0.5], [0.466666666667, 0.0666666666667, 0.5], [0.464705882353, 0.0705882352941, 0.5], [0.462745098039, 0.0745098039216, 0.5], [0.460784313725, 0.078431372549, 0.5], [0.458823529412, 0.0823529411765, 0.5], [0.456862745098, 0.0862745098039, 0.5], [0.454901960784, 0.0901960784314, 0.5], [0.452941176471, 0.0941176470588, 0.5], [0.450980392157, 0.0980392156863, 0.5], [0.449019607843, 0.101960784314, 0.5], [0.447058823529, 0.105882352941, 0.5], [0.445098039216, 0.109803921569, 0.5], [0.443137254902, 0.113725490196, 0.5], [0.441176470588, 0.117647058824, 0.5], [0.439215686275, 0.121568627451, 0.5], [0.437254901961, 0.125490196078, 0.5], [0.435294117647, 0.129411764706, 0.5], [0.433333333333, 0.133333333333, 0.5], [0.43137254902, 0.137254901961, 0.5], [0.429411764706, 0.141176470588, 0.5], [0.427450980392, 0.145098039216, 0.5], [0.425490196078, 0.149019607843, 0.5], [0.423529411765, 0.152941176471, 0.5], [0.421568627451, 0.156862745098, 0.5], [0.419607843137, 0.160784313725, 0.5], [0.417647058824, 0.164705882353, 0.5], [0.41568627451, 0.16862745098, 0.5], [0.413725490196, 0.172549019608, 0.5], [0.411764705882, 0.176470588235, 0.5], [0.409803921569, 0.180392156863, 0.5], [0.407843137255, 0.18431372549, 0.5], [0.405882352941, 0.188235294118, 0.5], [0.403921568627, 0.192156862745, 0.5], [0.401960784314, 0.196078431373, 0.5], [0.4, 0.2, 0.5], [0.398039215686, 0.203921568627, 0.5], [0.396078431373, 0.207843137255, 0.5], [0.394117647059, 0.211764705882, 0.5], [0.392156862745, 0.21568627451, 0.5], [0.390196078431, 0.219607843137, 0.5], [0.388235294118, 0.223529411765, 0.5], [0.386274509804, 0.227450980392, 0.5], [0.38431372549, 0.23137254902, 0.5], [0.382352941176, 0.235294117647, 0.5], [0.380392156863, 0.239215686275, 0.5], [0.378431372549, 0.243137254902, 0.5], [0.376470588235, 0.247058823529, 0.5], [0.374509803922, 0.250980392157, 0.5], [0.372549019608, 0.254901960784, 0.5], [0.370588235294, 0.258823529412, 0.5], [0.36862745098, 0.262745098039, 0.5], [0.366666666667, 0.266666666667, 0.5], [0.364705882353, 0.270588235294, 0.5], [0.362745098039, 0.274509803922, 0.5], [0.360784313725, 0.278431372549, 0.5], [0.358823529412, 0.282352941176, 0.5], [0.356862745098, 0.286274509804, 0.5], [0.354901960784, 0.290196078431, 0.5], [0.352941176471, 0.294117647059, 0.5], [0.350980392157, 0.298039215686, 0.5], [0.349019607843, 0.301960784314, 0.5], [0.347058823529, 0.305882352941, 0.5], [0.345098039216, 0.309803921569, 0.5], [0.343137254902, 0.313725490196, 0.5], [0.341176470588, 0.317647058824, 0.5], [0.339215686275, 0.321568627451, 0.5], [0.337254901961, 0.325490196078, 0.5], [0.335294117647, 0.329411764706, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.33137254902, 0.33137254902, 0.5], [0.329411764706, 0.329411764706, 0.5], [0.327450980392, 0.327450980392, 0.5], [0.325490196078, 0.325490196078, 0.5], [0.323529411765, 0.323529411765, 0.5], [0.321568627451, 0.321568627451, 0.5], [0.319607843137, 0.319607843137, 0.5], [0.317647058824, 0.317647058824, 0.5], [0.31568627451, 0.31568627451, 0.5], [0.313725490196, 0.313725490196, 0.5], [0.311764705882, 0.311764705882, 0.5], [0.309803921569, 0.309803921569, 0.5], [0.307843137255, 0.307843137255, 0.5], [0.305882352941, 0.305882352941, 0.5], [0.303921568627, 0.303921568627, 0.5], [0.301960784314, 0.301960784314, 0.5], [0.3, 0.3, 0.5], [0.298039215686, 0.298039215686, 0.5], [0.296078431373, 0.296078431373, 0.5], [0.294117647059, 0.294117647059, 0.5], [0.292156862745, 0.292156862745, 0.5], [0.290196078431, 0.290196078431, 0.5], [0.288235294118, 0.288235294118, 0.5], [0.286274509804, 0.286274509804, 0.5], [0.28431372549, 0.28431372549, 0.5], [0.282352941176, 0.282352941176, 0.5], [0.280392156863, 0.280392156863, 0.5], [0.278431372549, 0.278431372549, 0.5], [0.276470588235, 0.276470588235, 0.5], [0.274509803922, 0.274509803922, 0.5], [0.272549019608, 0.272549019608, 0.5], [0.270588235294, 0.270588235294, 0.5], [0.26862745098, 0.26862745098, 0.5], [0.266666666667, 0.266666666667, 0.5], [0.264705882353, 0.264705882353, 0.5], [0.262745098039, 0.262745098039, 0.5], [0.260784313725, 0.260784313725, 0.5], [0.258823529412, 0.258823529412, 0.5], [0.256862745098, 0.256862745098, 0.5], [0.254901960784, 0.254901960784, 0.5], [0.252941176471, 0.252941176471, 0.5], [0.250980392157, 0.250980392157, 0.5], [0.249019607843, 0.249019607843, 0.5], [0.247058823529, 0.247058823529, 0.5], [0.245098039216, 0.245098039216, 0.5], [0.243137254902, 0.243137254902, 0.5], [0.241176470588, 0.241176470588, 0.5], [0.239215686275, 0.239215686275, 0.5], [0.237254901961, 0.237254901961, 0.5], [0.235294117647, 0.235294117647, 0.5], [0.233333333333, 0.233333333333, 0.5], [0.23137254902, 0.23137254902, 0.5], [0.229411764706, 0.229411764706, 0.5], [0.227450980392, 0.227450980392, 0.5], [0.225490196078, 0.225490196078, 0.5], [0.223529411765, 0.223529411765, 0.5], [0.221568627451, 0.221568627451, 0.5], [0.219607843137, 0.219607843137, 0.5], [0.217647058824, 0.217647058824, 0.5], [0.21568627451, 0.21568627451, 0.5], [0.213725490196, 0.213725490196, 0.5], [0.211764705882, 0.211764705882, 0.5], [0.209803921569, 0.209803921569, 0.5], [0.207843137255, 0.207843137255, 0.5], [0.205882352941, 0.205882352941, 0.5], [0.203921568627, 0.203921568627, 0.5], [0.201960784314, 0.201960784314, 0.5], [0.2, 0.2, 0.5], [0.198039215686, 0.198039215686, 0.5], [0.196078431373, 0.196078431373, 0.5], [0.194117647059, 0.194117647059, 0.5], [0.192156862745, 0.192156862745, 0.5], [0.190196078431, 0.190196078431, 0.5], [0.188235294118, 0.188235294118, 0.5], [0.186274509804, 0.186274509804, 0.5], [0.18431372549, 0.18431372549, 0.5], [0.182352941176, 0.182352941176, 0.5], [0.180392156863, 0.180392156863, 0.5], [0.178431372549, 0.178431372549, 0.5], [0.176470588235, 0.176470588235, 0.5], [0.174509803922, 0.174509803922, 0.5], [0.172549019608, 0.172549019608, 0.5], [0.170588235294, 0.170588235294, 0.5], [0.16862745098, 0.16862745098, 0.5], [0.166666666667, 0.166666666667, 0.5], [0.164705882353, 0.164705882353, 0.5], [0.162745098039, 0.162745098039, 0.5], [0.160784313725, 0.160784313725, 0.5], [0.158823529412, 0.158823529412, 0.5], [0.156862745098, 0.156862745098, 0.5], [0.154901960784, 0.154901960784, 0.5], [0.152941176471, 0.152941176471, 0.5], [0.150980392157, 0.150980392157, 0.5], [0.149019607843, 0.149019607843, 0.5], [0.147058823529, 0.147058823529, 0.5], [0.145098039216, 0.145098039216, 0.5], [0.143137254902, 0.143137254902, 0.5], [0.141176470588, 0.141176470588, 0.5], [0.139215686275, 0.139215686275, 0.5], [0.137254901961, 0.137254901961, 0.5], [0.135294117647, 0.135294117647, 0.5], [0.133333333333, 0.133333333333, 0.5], [0.13137254902, 0.13137254902, 0.5], [0.129411764706, 0.129411764706, 0.5], [0.127450980392, 0.127450980392, 0.5], [0.125490196078, 0.125490196078, 0.5], [0.123529411765, 0.123529411765, 0.5], [0.121568627451, 0.121568627451, 0.5], [0.119607843137, 0.119607843137, 0.5], [0.117647058824, 0.117647058824, 0.5], [0.11568627451, 0.11568627451, 0.5], [0.113725490196, 0.113725490196, 0.5], [0.111764705882, 0.111764705882, 0.5], [0.109803921569, 0.109803921569, 0.5], [0.107843137255, 0.107843137255, 0.5], [0.105882352941, 0.105882352941, 0.5], [0.103921568627, 0.103921568627, 0.5], [0.101960784314, 0.101960784314, 0.5], [0.1, 0.1, 0.5], [0.0980392156863, 0.0980392156863, 0.5], [0.0960784313725, 0.0960784313725, 0.5], [0.0941176470588, 0.0941176470588, 0.5], [0.0921568627451, 0.0921568627451, 0.5], [0.0901960784314, 0.0901960784314, 0.5], [0.0882352941176, 0.0882352941176, 0.5], [0.0862745098039, 0.0862745098039, 0.5], [0.0843137254902, 0.0843137254902, 0.5], [0.0823529411765, 0.0823529411765, 0.5], [0.0803921568627, 0.0803921568627, 0.5], [0.078431372549, 0.078431372549, 0.5], [0.0764705882353, 0.0764705882353, 0.5], [0.0745098039216, 0.0745098039216, 0.5], [0.0725490196078, 0.0725490196078, 0.5], [0.0705882352941, 0.0705882352941, 0.5], [0.0686274509804, 0.0686274509804, 0.5], [0.0666666666667, 0.0666666666667, 0.5], [0.0647058823529, 0.0647058823529, 0.5], [0.0627450980392, 0.0627450980392, 0.5], [0.0607843137255, 0.0607843137255, 0.5], [0.0588235294118, 0.0588235294118, 0.5], [0.056862745098, 0.056862745098, 0.5], [0.0549019607843, 0.0549019607843, 0.5], [0.0529411764706, 0.0529411764706, 0.5], [0.0509803921569, 0.0509803921569, 0.5], [0.0490196078431, 0.0490196078431, 0.5], [0.0470588235294, 0.0470588235294, 0.5], [0.0450980392157, 0.0450980392157, 0.5], [0.043137254902, 0.043137254902, 0.5], [0.0411764705882, 0.0411764705882, 0.5], [0.0392156862745, 0.0392156862745, 0.5], [0.0372549019608, 0.0372549019608, 0.5], [0.0352941176471, 0.0352941176471, 0.5], [0.0333333333333, 0.0333333333333, 0.5], [0.0313725490196, 0.0313725490196, 0.5], [0.0294117647059, 0.0294117647059, 0.5], [0.0274509803922, 0.0274509803922, 0.5], [0.0254901960784, 0.0254901960784, 0.5], [0.0235294117647, 0.0235294117647, 0.5], [0.021568627451, 0.021568627451, 0.5], [0.0196078431373, 0.0196078431373, 0.5], [0.0176470588235, 0.0176470588235, 0.5], [0.0156862745098, 0.0156862745098, 0.5], [0.0137254901961, 0.0137254901961, 0.5], [0.0117647058824, 0.0117647058824, 0.5], [0.00980392156863, 0.00980392156863, 0.5], [0.0078431372549, 0.0078431372549, 0.5], [0.00588235294118, 0.00588235294118, 0.5], [0.00392156862745, 0.00392156862745, 0.5], [0.00196078431373, 0.00196078431373, 0.5], [0.0, 0.0, 0.5], [0.5, -2.77555756156e-17, 0.5], [0.5, -2.77555756156e-17, 0.493827160494], [0.5, -2.77555756156e-17, 0.487654320988], [0.5, -2.77555756156e-17, 0.481481481481], [0.5, -2.77555756156e-17, 0.475308641975], [0.5, -2.77555756156e-17, 0.469135802469], [0.5, -2.77555756156e-17, 0.462962962963], [0.5, -2.77555756156e-17, 0.456790123457], [0.5, -2.77555756156e-17, 0.450617283951], [0.5, -2.77555756156e-17, 0.444444444444], [0.5, -2.77555756156e-17, 0.438271604938], [0.5, -2.77555756156e-17, 0.432098765432], [0.5, -2.77555756156e-17, 0.425925925926], [0.5, -2.77555756156e-17, 0.41975308642], [0.5, -2.77555756156e-17, 0.413580246914], [0.5, -2.77555756156e-17, 0.407407407407], [0.5, -2.77555756156e-17, 0.401234567901], [0.5, -2.77555756156e-17, 0.395061728395], [0.5, -2.77555756156e-17, 0.388888888889], [0.5, -2.77555756156e-17, 0.382716049383], [0.5, -2.77555756156e-17, 0.376543209877], [0.5, -2.77555756156e-17, 0.37037037037], [0.5, -2.77555756156e-17, 0.364197530864], [0.5, -2.77555756156e-17, 0.358024691358], [0.5, -2.77555756156e-17, 0.351851851852], [0.5, -2.77555756156e-17, 0.345679012346], [0.5, -2.77555756156e-17, 0.33950617284], [0.5, -2.77555756156e-17, 0.333333333333], [0.5, -2.77555756156e-17, 0.327160493827], [0.5, -2.77555756156e-17, 0.320987654321], [0.5, -2.77555756156e-17, 0.314814814815], [0.5, -2.77555756156e-17, 0.308641975309], [0.5, -2.77555756156e-17, 0.302469135802], [0.5, -2.77555756156e-17, 0.296296296296], [0.5, -2.77555756156e-17, 0.29012345679], [0.5, -2.77555756156e-17, 0.283950617284], [0.5, -2.77555756156e-17, 0.277777777778], [0.5, -2.77555756156e-17, 0.271604938272], [0.5, -2.77555756156e-17, 0.265432098765], [0.5, -2.77555756156e-17, 0.259259259259], [0.5, -2.77555756156e-17, 0.253086419753], [0.5, -2.77555756156e-17, 0.246913580247], [0.5, -2.77555756156e-17, 0.240740740741], [0.5, -2.77555756156e-17, 0.234567901235], [0.5, -2.77555756156e-17, 0.228395061728], [0.5, -2.77555756156e-17, 0.222222222222], [0.5, -2.77555756156e-17, 0.216049382716], [0.5, -2.77555756156e-17, 0.20987654321], [0.5, -2.77555756156e-17, 0.203703703704], [0.5, -2.77555756156e-17, 0.197530864198], [0.5, -2.77555756156e-17, 0.191358024691], [0.5, -2.77555756156e-17, 0.185185185185], [0.5, -2.77555756156e-17, 0.179012345679], [0.5, -2.77555756156e-17, 0.172839506173], [0.5, -2.77555756156e-17, 0.166666666667], [0.5, -2.77555756156e-17, 0.16049382716], [0.5, -2.77555756156e-17, 0.154320987654], [0.5, -2.77555756156e-17, 0.148148148148], [0.5, -2.77555756156e-17, 0.141975308642], [0.5, -2.77555756156e-17, 0.135802469136], [0.5, -2.77555756156e-17, 0.12962962963], [0.5, -2.77555756156e-17, 0.123456790123], [0.5, -2.77555756156e-17, 0.117283950617], [0.5, -2.77555756156e-17, 0.111111111111], [0.5, -2.77555756156e-17, 0.104938271605], [0.5, -2.77555756156e-17, 0.0987654320988], [0.5, -2.77555756156e-17, 0.0925925925926], [0.5, -2.77555756156e-17, 0.0864197530864], [0.5, -2.77555756156e-17, 0.0802469135802], [0.5, -2.77555756156e-17, 0.0740740740741], [0.5, -2.77555756156e-17, 0.0679012345679], [0.5, -2.77555756156e-17, 0.0617283950617], [0.5, -2.77555756156e-17, 0.0555555555556], [0.5, -2.77555756156e-17, 0.0493827160494], [0.5, -2.77555756156e-17, 0.0432098765432], [0.5, -2.77555756156e-17, 0.037037037037], [0.5, -2.77555756156e-17, 0.0308641975309], [0.5, -2.77555756156e-17, 0.0246913580247], [0.5, -2.77555756156e-17, 0.0185185185185], [0.5, -2.77555756156e-17, 0.0123456790123], [0.5, -2.77555756156e-17, 0.00617283950617], [0.5, -2.77555756156e-17, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.00617283950617], [0.333333333333, 0.333333333333, 0.0123456790123], [0.333333333333, 0.333333333333, 0.0185185185185], [0.333333333333, 0.333333333333, 0.0246913580247], [0.333333333333, 0.333333333333, 0.0308641975309], [0.333333333333, 0.333333333333, 0.037037037037], [0.333333333333, 0.333333333333, 0.0432098765432], [0.333333333333, 0.333333333333, 0.0493827160494], [0.333333333333, 0.333333333333, 0.0555555555556], [0.333333333333, 0.333333333333, 0.0617283950617], [0.333333333333, 0.333333333333, 0.0679012345679], [0.333333333333, 0.333333333333, 0.0740740740741], [0.333333333333, 0.333333333333, 0.0802469135802], [0.333333333333, 0.333333333333, 0.0864197530864], [0.333333333333, 0.333333333333, 0.0925925925926], [0.333333333333, 0.333333333333, 0.0987654320988], [0.333333333333, 0.333333333333, 0.104938271605], [0.333333333333, 0.333333333333, 0.111111111111], [0.333333333333, 0.333333333333, 0.117283950617], [0.333333333333, 0.333333333333, 0.123456790123], [0.333333333333, 0.333333333333, 0.12962962963], [0.333333333333, 0.333333333333, 0.135802469136], [0.333333333333, 0.333333333333, 0.141975308642], [0.333333333333, 0.333333333333, 0.148148148148], [0.333333333333, 0.333333333333, 0.154320987654], [0.333333333333, 0.333333333333, 0.16049382716], [0.333333333333, 0.333333333333, 0.166666666667], [0.333333333333, 0.333333333333, 0.172839506173], [0.333333333333, 0.333333333333, 0.179012345679], [0.333333333333, 0.333333333333, 0.185185185185], [0.333333333333, 0.333333333333, 0.191358024691], [0.333333333333, 0.333333333333, 0.197530864198], [0.333333333333, 0.333333333333, 0.203703703704], [0.333333333333, 0.333333333333, 0.20987654321], [0.333333333333, 0.333333333333, 0.216049382716], [0.333333333333, 0.333333333333, 0.222222222222], [0.333333333333, 0.333333333333, 0.228395061728], [0.333333333333, 0.333333333333, 0.234567901235], [0.333333333333, 0.333333333333, 0.240740740741], [0.333333333333, 0.333333333333, 0.246913580247], [0.333333333333, 0.333333333333, 0.253086419753], [0.333333333333, 0.333333333333, 0.259259259259], [0.333333333333, 0.333333333333, 0.265432098765], [0.333333333333, 0.333333333333, 0.271604938272], [0.333333333333, 0.333333333333, 0.277777777778], [0.333333333333, 0.333333333333, 0.283950617284], [0.333333333333, 0.333333333333, 0.29012345679], [0.333333333333, 0.333333333333, 0.296296296296], [0.333333333333, 0.333333333333, 0.302469135802], [0.333333333333, 0.333333333333, 0.308641975309], [0.333333333333, 0.333333333333, 0.314814814815], [0.333333333333, 0.333333333333, 0.320987654321], [0.333333333333, 0.333333333333, 0.327160493827], [0.333333333333, 0.333333333333, 0.333333333333], [0.333333333333, 0.333333333333, 0.33950617284], [0.333333333333, 0.333333333333, 0.345679012346], [0.333333333333, 0.333333333333, 0.351851851852], [0.333333333333, 0.333333333333, 0.358024691358], [0.333333333333, 0.333333333333, 0.364197530864], [0.333333333333, 0.333333333333, 0.37037037037], [0.333333333333, 0.333333333333, 0.376543209877], [0.333333333333, 0.333333333333, 0.382716049383], [0.333333333333, 0.333333333333, 0.388888888889], [0.333333333333, 0.333333333333, 0.395061728395], [0.333333333333, 0.333333333333, 0.401234567901], [0.333333333333, 0.333333333333, 0.407407407407], [0.333333333333, 0.333333333333, 0.413580246914], [0.333333333333, 0.333333333333, 0.41975308642], [0.333333333333, 0.333333333333, 0.425925925926], [0.333333333333, 0.333333333333, 0.432098765432], [0.333333333333, 0.333333333333, 0.438271604938], [0.333333333333, 0.333333333333, 0.444444444444], [0.333333333333, 0.333333333333, 0.450617283951], [0.333333333333, 0.333333333333, 0.456790123457], [0.333333333333, 0.333333333333, 0.462962962963], [0.333333333333, 0.333333333333, 0.469135802469], [0.333333333333, 0.333333333333, 0.475308641975], [0.333333333333, 0.333333333333, 0.481481481481], [0.333333333333, 0.333333333333, 0.487654320988], [0.333333333333, 0.333333333333, 0.493827160494], [0.333333333333, 0.333333333333, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "A", "A", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "A", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231574, -2.132778, 0.0], [-1.231574, 2.132778, 0.0], [0.0, 0.0, -3.897133]], "a": 2.462826935608753, "b": 2.462826935608753, "c": 3.897133, "alpha": 90.0, "beta": 90.0, "gamma": 119.99137498847529, "volume": 20.47299532573223}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666693, 0.333307, 0.75], "xyz": [-1.231574, -0.711038326308, -2.92284975], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333307, 0.666693, 0.25], "xyz": [-1.231574, 0.711038326308, -0.97428325], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 24, "NCORE": 4, "NEDOS": 601, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 2880, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0222222222222, 0.0, 0.0], [0.0444444444444, 0.0, 0.0], [0.0666666666667, 0.0, 0.0], [0.0888888888889, 0.0, 0.0], [0.111111111111, 0.0, 0.0], [0.133333333333, 0.0, 0.0], [0.155555555556, 0.0, 0.0], [0.177777777778, 0.0, 0.0], [0.2, 0.0, 0.0], [0.222222222222, 0.0, 0.0], [0.244444444444, 0.0, 0.0], [0.266666666667, 0.0, 0.0], [0.288888888889, 0.0, 0.0], [0.311111111111, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.355555555556, 0.0, 0.0], [0.377777777778, 0.0, 0.0], [0.4, 0.0, 0.0], [0.422222222222, 0.0, 0.0], [0.444444444444, 0.0, 0.0], [0.466666666667, 0.0, 0.0], [0.488888888889, 0.0, 0.0], [0.0222222222222, 0.0222222222222, 0.0], [0.0444444444444, 0.0222222222222, 0.0], [0.0666666666667, 0.0222222222222, 0.0], [0.0888888888889, 0.0222222222222, 0.0], [0.111111111111, 0.0222222222222, 0.0], [0.133333333333, 0.0222222222222, 0.0], [0.155555555556, 0.0222222222222, 0.0], [0.177777777778, 0.0222222222222, 0.0], [0.2, 0.0222222222222, 0.0], [0.222222222222, 0.0222222222222, 0.0], [0.244444444444, 0.0222222222222, 0.0], [0.266666666667, 0.0222222222222, 0.0], [0.288888888889, 0.0222222222222, 0.0], [0.311111111111, 0.0222222222222, 0.0], [0.333333333333, 0.0222222222222, 0.0], [0.355555555556, 0.0222222222222, 0.0], [0.377777777778, 0.0222222222222, 0.0], [0.4, 0.0222222222222, 0.0], [0.422222222222, 0.0222222222222, 0.0], [0.444444444444, 0.0222222222222, 0.0], [0.466666666667, 0.0222222222222, 0.0], [0.488888888889, 0.0222222222222, 0.0], [0.0444444444444, 0.0444444444444, 0.0], [0.0666666666667, 0.0444444444444, 0.0], [0.0888888888889, 0.0444444444444, 0.0], [0.111111111111, 0.0444444444444, 0.0], [0.133333333333, 0.0444444444444, 0.0], [0.155555555556, 0.0444444444444, 0.0], [0.177777777778, 0.0444444444444, 0.0], [0.2, 0.0444444444444, 0.0], [0.222222222222, 0.0444444444444, 0.0], [0.244444444444, 0.0444444444444, 0.0], [0.266666666667, 0.0444444444444, 0.0], [0.288888888889, 0.0444444444444, 0.0], [0.311111111111, 0.0444444444444, 0.0], [0.333333333333, 0.0444444444444, 0.0], [0.355555555556, 0.0444444444444, 0.0], [0.377777777778, 0.0444444444444, 0.0], [0.4, 0.0444444444444, 0.0], [0.422222222222, 0.0444444444444, 0.0], [0.444444444444, 0.0444444444444, 0.0], [0.466666666667, 0.0444444444444, 0.0], [0.0666666666667, 0.0666666666667, 0.0], [0.0888888888889, 0.0666666666667, 0.0], [0.111111111111, 0.0666666666667, 0.0], [0.133333333333, 0.0666666666667, 0.0], [0.155555555556, 0.0666666666667, 0.0], [0.177777777778, 0.0666666666667, 0.0], [0.2, 0.0666666666667, 0.0], [0.222222222222, 0.0666666666667, 0.0], [0.244444444444, 0.0666666666667, 0.0], [0.266666666667, 0.0666666666667, 0.0], [0.288888888889, 0.0666666666667, 0.0], [0.311111111111, 0.0666666666667, 0.0], [0.333333333333, 0.0666666666667, 0.0], [0.355555555556, 0.0666666666667, 0.0], [0.377777777778, 0.0666666666667, 0.0], [0.4, 0.0666666666667, 0.0], [0.422222222222, 0.0666666666667, 0.0], [0.444444444444, 0.0666666666667, 0.0], [0.466666666667, 0.0666666666667, 0.0], [0.0888888888889, 0.0888888888889, 0.0], [0.111111111111, 0.0888888888889, 0.0], [0.133333333333, 0.0888888888889, 0.0], [0.155555555556, 0.0888888888889, 0.0], [0.177777777778, 0.0888888888889, 0.0], [0.2, 0.0888888888889, 0.0], [0.222222222222, 0.0888888888889, 0.0], [0.244444444444, 0.0888888888889, 0.0], [0.266666666667, 0.0888888888889, 0.0], [0.288888888889, 0.0888888888889, 0.0], [0.311111111111, 0.0888888888889, 0.0], [0.333333333333, 0.0888888888889, 0.0], [0.355555555556, 0.0888888888889, 0.0], [0.377777777778, 0.0888888888889, 0.0], [0.4, 0.0888888888889, 0.0], [0.422222222222, 0.0888888888889, 0.0], [0.444444444444, 0.0888888888889, 0.0], [0.111111111111, 0.111111111111, 0.0], [0.133333333333, 0.111111111111, 0.0], [0.155555555556, 0.111111111111, 0.0], [0.177777777778, 0.111111111111, 0.0], [0.2, 0.111111111111, 0.0], [0.222222222222, 0.111111111111, 0.0], [0.244444444444, 0.111111111111, 0.0], [0.266666666667, 0.111111111111, 0.0], [0.288888888889, 0.111111111111, 0.0], [0.311111111111, 0.111111111111, 0.0], [0.333333333333, 0.111111111111, 0.0], [0.355555555556, 0.111111111111, 0.0], [0.377777777778, 0.111111111111, 0.0], [0.4, 0.111111111111, 0.0], [0.422222222222, 0.111111111111, 0.0], [0.444444444444, 0.111111111111, 0.0], [0.133333333333, 0.133333333333, 0.0], [0.155555555556, 0.133333333333, 0.0], [0.177777777778, 0.133333333333, 0.0], [0.2, 0.133333333333, 0.0], [0.222222222222, 0.133333333333, 0.0], [0.244444444444, 0.133333333333, 0.0], [0.266666666667, 0.133333333333, 0.0], [0.288888888889, 0.133333333333, 0.0], [0.311111111111, 0.133333333333, 0.0], [0.333333333333, 0.133333333333, 0.0], [0.355555555556, 0.133333333333, 0.0], [0.377777777778, 0.133333333333, 0.0], [0.4, 0.133333333333, 0.0], [0.422222222222, 0.133333333333, 0.0], [0.155555555556, 0.155555555556, 0.0], [0.177777777778, 0.155555555556, 0.0], [0.2, 0.155555555556, 0.0], [0.222222222222, 0.155555555556, 0.0], [0.244444444444, 0.155555555556, 0.0], [0.266666666667, 0.155555555556, 0.0], [0.288888888889, 0.155555555556, 0.0], [0.311111111111, 0.155555555556, 0.0], [0.333333333333, 0.155555555556, 0.0], [0.355555555556, 0.155555555556, 0.0], [0.377777777778, 0.155555555556, 0.0], [0.4, 0.155555555556, 0.0], [0.422222222222, 0.155555555556, 0.0], [0.177777777778, 0.177777777778, 0.0], [0.2, 0.177777777778, 0.0], [0.222222222222, 0.177777777778, 0.0], [0.244444444444, 0.177777777778, 0.0], [0.266666666667, 0.177777777778, 0.0], [0.288888888889, 0.177777777778, 0.0], [0.311111111111, 0.177777777778, 0.0], [0.333333333333, 0.177777777778, 0.0], [0.355555555556, 0.177777777778, 0.0], [0.377777777778, 0.177777777778, 0.0], [0.4, 0.177777777778, 0.0], [0.2, 0.2, 0.0], [0.222222222222, 0.2, 0.0], [0.244444444444, 0.2, 0.0], [0.266666666667, 0.2, 0.0], [0.288888888889, 0.2, 0.0], [0.311111111111, 0.2, 0.0], [0.333333333333, 0.2, 0.0], [0.355555555556, 0.2, 0.0], [0.377777777778, 0.2, 0.0], [0.4, 0.2, 0.0], [0.222222222222, 0.222222222222, 0.0], [0.244444444444, 0.222222222222, 0.0], [0.266666666667, 0.222222222222, 0.0], [0.288888888889, 0.222222222222, 0.0], [0.311111111111, 0.222222222222, 0.0], [0.333333333333, 0.222222222222, 0.0], [0.355555555556, 0.222222222222, 0.0], [0.377777777778, 0.222222222222, 0.0], [0.244444444444, 0.244444444444, 0.0], [0.266666666667, 0.244444444444, 0.0], [0.288888888889, 0.244444444444, 0.0], [0.311111111111, 0.244444444444, 0.0], [0.333333333333, 0.244444444444, 0.0], [0.355555555556, 0.244444444444, 0.0], [0.377777777778, 0.244444444444, 0.0], [0.266666666667, 0.266666666667, 0.0], [0.288888888889, 0.266666666667, 0.0], [0.311111111111, 0.266666666667, 0.0], [0.333333333333, 0.266666666667, 0.0], [0.355555555556, 0.266666666667, 0.0], [0.288888888889, 0.288888888889, 0.0], [0.311111111111, 0.288888888889, 0.0], [0.333333333333, 0.288888888889, 0.0], [0.355555555556, 0.288888888889, 0.0], [0.311111111111, 0.311111111111, 0.0], [0.333333333333, 0.311111111111, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.0, 0.0, 0.0357142857143], [0.0222222222222, 0.0, 0.0357142857143], [0.0444444444444, 0.0, 0.0357142857143], [0.0666666666667, 0.0, 0.0357142857143], [0.0888888888889, 0.0, 0.0357142857143], [0.111111111111, 0.0, 0.0357142857143], [0.133333333333, 0.0, 0.0357142857143], [0.155555555556, 0.0, 0.0357142857143], [0.177777777778, 0.0, 0.0357142857143], [0.2, 0.0, 0.0357142857143], [0.222222222222, 0.0, 0.0357142857143], [0.244444444444, 0.0, 0.0357142857143], [0.266666666667, 0.0, 0.0357142857143], [0.288888888889, 0.0, 0.0357142857143], [0.311111111111, 0.0, 0.0357142857143], [0.333333333333, 0.0, 0.0357142857143], [0.355555555556, 0.0, 0.0357142857143], [0.377777777778, 0.0, 0.0357142857143], [0.4, 0.0, 0.0357142857143], [0.422222222222, 0.0, 0.0357142857143], [0.444444444444, 0.0, 0.0357142857143], [0.466666666667, 0.0, 0.0357142857143], [0.488888888889, 0.0, 0.0357142857143], [0.0222222222222, 0.0222222222222, 0.0357142857143], [0.0444444444444, 0.0222222222222, 0.0357142857143], [0.0666666666667, 0.0222222222222, 0.0357142857143], [0.0888888888889, 0.0222222222222, 0.0357142857143], [0.111111111111, 0.0222222222222, 0.0357142857143], [0.133333333333, 0.0222222222222, 0.0357142857143], [0.155555555556, 0.0222222222222, 0.0357142857143], [0.177777777778, 0.0222222222222, 0.0357142857143], [0.2, 0.0222222222222, 0.0357142857143], [0.222222222222, 0.0222222222222, 0.0357142857143], [0.244444444444, 0.0222222222222, 0.0357142857143], [0.266666666667, 0.0222222222222, 0.0357142857143], [0.288888888889, 0.0222222222222, 0.0357142857143], [0.311111111111, 0.0222222222222, 0.0357142857143], [0.333333333333, 0.0222222222222, 0.0357142857143], [0.355555555556, 0.0222222222222, 0.0357142857143], [0.377777777778, 0.0222222222222, 0.0357142857143], [0.4, 0.0222222222222, 0.0357142857143], [0.422222222222, 0.0222222222222, 0.0357142857143], [0.444444444444, 0.0222222222222, 0.0357142857143], [0.466666666667, 0.0222222222222, 0.0357142857143], [0.488888888889, 0.0222222222222, 0.0357142857143], [0.0444444444444, 0.0444444444444, 0.0357142857143], [0.0666666666667, 0.0444444444444, 0.0357142857143], [0.0888888888889, 0.0444444444444, 0.0357142857143], [0.111111111111, 0.0444444444444, 0.0357142857143], [0.133333333333, 0.0444444444444, 0.0357142857143], [0.155555555556, 0.0444444444444, 0.0357142857143], [0.177777777778, 0.0444444444444, 0.0357142857143], [0.2, 0.0444444444444, 0.0357142857143], [0.222222222222, 0.0444444444444, 0.0357142857143], [0.244444444444, 0.0444444444444, 0.0357142857143], [0.266666666667, 0.0444444444444, 0.0357142857143], [0.288888888889, 0.0444444444444, 0.0357142857143], [0.311111111111, 0.0444444444444, 0.0357142857143], [0.333333333333, 0.0444444444444, 0.0357142857143], [0.355555555556, 0.0444444444444, 0.0357142857143], [0.377777777778, 0.0444444444444, 0.0357142857143], [0.4, 0.0444444444444, 0.0357142857143], [0.422222222222, 0.0444444444444, 0.0357142857143], [0.444444444444, 0.0444444444444, 0.0357142857143], [0.466666666667, 0.0444444444444, 0.0357142857143], [0.0666666666667, 0.0666666666667, 0.0357142857143], [0.0888888888889, 0.0666666666667, 0.0357142857143], [0.111111111111, 0.0666666666667, 0.0357142857143], [0.133333333333, 0.0666666666667, 0.0357142857143], [0.155555555556, 0.0666666666667, 0.0357142857143], [0.177777777778, 0.0666666666667, 0.0357142857143], [0.2, 0.0666666666667, 0.0357142857143], [0.222222222222, 0.0666666666667, 0.0357142857143], [0.244444444444, 0.0666666666667, 0.0357142857143], [0.266666666667, 0.0666666666667, 0.0357142857143], [0.288888888889, 0.0666666666667, 0.0357142857143], [0.311111111111, 0.0666666666667, 0.0357142857143], [0.333333333333, 0.0666666666667, 0.0357142857143], [0.355555555556, 0.0666666666667, 0.0357142857143], [0.377777777778, 0.0666666666667, 0.0357142857143], [0.4, 0.0666666666667, 0.0357142857143], [0.422222222222, 0.0666666666667, 0.0357142857143], [0.444444444444, 0.0666666666667, 0.0357142857143], [0.466666666667, 0.0666666666667, 0.0357142857143], [0.0888888888889, 0.0888888888889, 0.0357142857143], [0.111111111111, 0.0888888888889, 0.0357142857143], [0.133333333333, 0.0888888888889, 0.0357142857143], [0.155555555556, 0.0888888888889, 0.0357142857143], [0.177777777778, 0.0888888888889, 0.0357142857143], [0.2, 0.0888888888889, 0.0357142857143], [0.222222222222, 0.0888888888889, 0.0357142857143], [0.244444444444, 0.0888888888889, 0.0357142857143], [0.266666666667, 0.0888888888889, 0.0357142857143], [0.288888888889, 0.0888888888889, 0.0357142857143], [0.311111111111, 0.0888888888889, 0.0357142857143], [0.333333333333, 0.0888888888889, 0.0357142857143], [0.355555555556, 0.0888888888889, 0.0357142857143], [0.377777777778, 0.0888888888889, 0.0357142857143], [0.4, 0.0888888888889, 0.0357142857143], [0.422222222222, 0.0888888888889, 0.0357142857143], [0.444444444444, 0.0888888888889, 0.0357142857143], [0.111111111111, 0.111111111111, 0.0357142857143], [0.133333333333, 0.111111111111, 0.0357142857143], [0.155555555556, 0.111111111111, 0.0357142857143], [0.177777777778, 0.111111111111, 0.0357142857143], [0.2, 0.111111111111, 0.0357142857143], [0.222222222222, 0.111111111111, 0.0357142857143], [0.244444444444, 0.111111111111, 0.0357142857143], [0.266666666667, 0.111111111111, 0.0357142857143], [0.288888888889, 0.111111111111, 0.0357142857143], [0.311111111111, 0.111111111111, 0.0357142857143], [0.333333333333, 0.111111111111, 0.0357142857143], [0.355555555556, 0.111111111111, 0.0357142857143], [0.377777777778, 0.111111111111, 0.0357142857143], [0.4, 0.111111111111, 0.0357142857143], [0.422222222222, 0.111111111111, 0.0357142857143], [0.444444444444, 0.111111111111, 0.0357142857143], [0.133333333333, 0.133333333333, 0.0357142857143], [0.155555555556, 0.133333333333, 0.0357142857143], [0.177777777778, 0.133333333333, 0.0357142857143], [0.2, 0.133333333333, 0.0357142857143], [0.222222222222, 0.133333333333, 0.0357142857143], [0.244444444444, 0.133333333333, 0.0357142857143], [0.266666666667, 0.133333333333, 0.0357142857143], [0.288888888889, 0.133333333333, 0.0357142857143], [0.311111111111, 0.133333333333, 0.0357142857143], [0.333333333333, 0.133333333333, 0.0357142857143], [0.355555555556, 0.133333333333, 0.0357142857143], [0.377777777778, 0.133333333333, 0.0357142857143], [0.4, 0.133333333333, 0.0357142857143], [0.422222222222, 0.133333333333, 0.0357142857143], [0.155555555556, 0.155555555556, 0.0357142857143], [0.177777777778, 0.155555555556, 0.0357142857143], [0.2, 0.155555555556, 0.0357142857143], [0.222222222222, 0.155555555556, 0.0357142857143], [0.244444444444, 0.155555555556, 0.0357142857143], [0.266666666667, 0.155555555556, 0.0357142857143], [0.288888888889, 0.155555555556, 0.0357142857143], [0.311111111111, 0.155555555556, 0.0357142857143], [0.333333333333, 0.155555555556, 0.0357142857143], [0.355555555556, 0.155555555556, 0.0357142857143], [0.377777777778, 0.155555555556, 0.0357142857143], [0.4, 0.155555555556, 0.0357142857143], [0.422222222222, 0.155555555556, 0.0357142857143], [0.177777777778, 0.177777777778, 0.0357142857143], [0.2, 0.177777777778, 0.0357142857143], [0.222222222222, 0.177777777778, 0.0357142857143], [0.244444444444, 0.177777777778, 0.0357142857143], [0.266666666667, 0.177777777778, 0.0357142857143], [0.288888888889, 0.177777777778, 0.0357142857143], [0.311111111111, 0.177777777778, 0.0357142857143], [0.333333333333, 0.177777777778, 0.0357142857143], [0.355555555556, 0.177777777778, 0.0357142857143], [0.377777777778, 0.177777777778, 0.0357142857143], [0.4, 0.177777777778, 0.0357142857143], [0.2, 0.2, 0.0357142857143], [0.222222222222, 0.2, 0.0357142857143], [0.244444444444, 0.2, 0.0357142857143], [0.266666666667, 0.2, 0.0357142857143], [0.288888888889, 0.2, 0.0357142857143], [0.311111111111, 0.2, 0.0357142857143], [0.333333333333, 0.2, 0.0357142857143], [0.355555555556, 0.2, 0.0357142857143], [0.377777777778, 0.2, 0.0357142857143], [0.4, 0.2, 0.0357142857143], [0.222222222222, 0.222222222222, 0.0357142857143], [0.244444444444, 0.222222222222, 0.0357142857143], [0.266666666667, 0.222222222222, 0.0357142857143], [0.288888888889, 0.222222222222, 0.0357142857143], [0.311111111111, 0.222222222222, 0.0357142857143], [0.333333333333, 0.222222222222, 0.0357142857143], [0.355555555556, 0.222222222222, 0.0357142857143], [0.377777777778, 0.222222222222, 0.0357142857143], [0.244444444444, 0.244444444444, 0.0357142857143], [0.266666666667, 0.244444444444, 0.0357142857143], [0.288888888889, 0.244444444444, 0.0357142857143], [0.311111111111, 0.244444444444, 0.0357142857143], [0.333333333333, 0.244444444444, 0.0357142857143], [0.355555555556, 0.244444444444, 0.0357142857143], [0.377777777778, 0.244444444444, 0.0357142857143], [0.266666666667, 0.266666666667, 0.0357142857143], [0.288888888889, 0.266666666667, 0.0357142857143], [0.311111111111, 0.266666666667, 0.0357142857143], [0.333333333333, 0.266666666667, 0.0357142857143], [0.355555555556, 0.266666666667, 0.0357142857143], [0.288888888889, 0.288888888889, 0.0357142857143], [0.311111111111, 0.288888888889, 0.0357142857143], [0.333333333333, 0.288888888889, 0.0357142857143], [0.355555555556, 0.288888888889, 0.0357142857143], [0.311111111111, 0.311111111111, 0.0357142857143], [0.333333333333, 0.311111111111, 0.0357142857143], [0.333333333333, 0.333333333333, 0.0357142857143], [0.0, 0.0, 0.0714285714286], [0.0222222222222, 0.0, 0.0714285714286], [0.0444444444444, 0.0, 0.0714285714286], [0.0666666666667, 0.0, 0.0714285714286], [0.0888888888889, 0.0, 0.0714285714286], [0.111111111111, 0.0, 0.0714285714286], [0.133333333333, 0.0, 0.0714285714286], [0.155555555556, 0.0, 0.0714285714286], [0.177777777778, 0.0, 0.0714285714286], [0.2, 0.0, 0.0714285714286], [0.222222222222, 0.0, 0.0714285714286], [0.244444444444, 0.0, 0.0714285714286], [0.266666666667, 0.0, 0.0714285714286], [0.288888888889, 0.0, 0.0714285714286], [0.311111111111, 0.0, 0.0714285714286], [0.333333333333, 0.0, 0.0714285714286], [0.355555555556, 0.0, 0.0714285714286], [0.377777777778, 0.0, 0.0714285714286], [0.4, 0.0, 0.0714285714286], [0.422222222222, 0.0, 0.0714285714286], [0.444444444444, 0.0, 0.0714285714286], [0.466666666667, 0.0, 0.0714285714286], [0.488888888889, 0.0, 0.0714285714286], [0.0222222222222, 0.0222222222222, 0.0714285714286], [0.0444444444444, 0.0222222222222, 0.0714285714286], [0.0666666666667, 0.0222222222222, 0.0714285714286], [0.0888888888889, 0.0222222222222, 0.0714285714286], [0.111111111111, 0.0222222222222, 0.0714285714286], [0.133333333333, 0.0222222222222, 0.0714285714286], [0.155555555556, 0.0222222222222, 0.0714285714286], [0.177777777778, 0.0222222222222, 0.0714285714286], [0.2, 0.0222222222222, 0.0714285714286], [0.222222222222, 0.0222222222222, 0.0714285714286], [0.244444444444, 0.0222222222222, 0.0714285714286], [0.266666666667, 0.0222222222222, 0.0714285714286], [0.288888888889, 0.0222222222222, 0.0714285714286], [0.311111111111, 0.0222222222222, 0.0714285714286], [0.333333333333, 0.0222222222222, 0.0714285714286], [0.355555555556, 0.0222222222222, 0.0714285714286], [0.377777777778, 0.0222222222222, 0.0714285714286], [0.4, 0.0222222222222, 0.0714285714286], [0.422222222222, 0.0222222222222, 0.0714285714286], [0.444444444444, 0.0222222222222, 0.0714285714286], [0.466666666667, 0.0222222222222, 0.0714285714286], [0.488888888889, 0.0222222222222, 0.0714285714286], [0.0444444444444, 0.0444444444444, 0.0714285714286], [0.0666666666667, 0.0444444444444, 0.0714285714286], [0.0888888888889, 0.0444444444444, 0.0714285714286], [0.111111111111, 0.0444444444444, 0.0714285714286], [0.133333333333, 0.0444444444444, 0.0714285714286], [0.155555555556, 0.0444444444444, 0.0714285714286], [0.177777777778, 0.0444444444444, 0.0714285714286], [0.2, 0.0444444444444, 0.0714285714286], [0.222222222222, 0.0444444444444, 0.0714285714286], [0.244444444444, 0.0444444444444, 0.0714285714286], [0.266666666667, 0.0444444444444, 0.0714285714286], [0.288888888889, 0.0444444444444, 0.0714285714286], [0.311111111111, 0.0444444444444, 0.0714285714286], [0.333333333333, 0.0444444444444, 0.0714285714286], [0.355555555556, 0.0444444444444, 0.0714285714286], [0.377777777778, 0.0444444444444, 0.0714285714286], [0.4, 0.0444444444444, 0.0714285714286], [0.422222222222, 0.0444444444444, 0.0714285714286], [0.444444444444, 0.0444444444444, 0.0714285714286], [0.466666666667, 0.0444444444444, 0.0714285714286], [0.0666666666667, 0.0666666666667, 0.0714285714286], [0.0888888888889, 0.0666666666667, 0.0714285714286], [0.111111111111, 0.0666666666667, 0.0714285714286], [0.133333333333, 0.0666666666667, 0.0714285714286], [0.155555555556, 0.0666666666667, 0.0714285714286], [0.177777777778, 0.0666666666667, 0.0714285714286], [0.2, 0.0666666666667, 0.0714285714286], [0.222222222222, 0.0666666666667, 0.0714285714286], [0.244444444444, 0.0666666666667, 0.0714285714286], [0.266666666667, 0.0666666666667, 0.0714285714286], [0.288888888889, 0.0666666666667, 0.0714285714286], [0.311111111111, 0.0666666666667, 0.0714285714286], [0.333333333333, 0.0666666666667, 0.0714285714286], [0.355555555556, 0.0666666666667, 0.0714285714286], [0.377777777778, 0.0666666666667, 0.0714285714286], [0.4, 0.0666666666667, 0.0714285714286], [0.422222222222, 0.0666666666667, 0.0714285714286], [0.444444444444, 0.0666666666667, 0.0714285714286], [0.466666666667, 0.0666666666667, 0.0714285714286], [0.0888888888889, 0.0888888888889, 0.0714285714286], [0.111111111111, 0.0888888888889, 0.0714285714286], [0.133333333333, 0.0888888888889, 0.0714285714286], [0.155555555556, 0.0888888888889, 0.0714285714286], [0.177777777778, 0.0888888888889, 0.0714285714286], [0.2, 0.0888888888889, 0.0714285714286], [0.222222222222, 0.0888888888889, 0.0714285714286], [0.244444444444, 0.0888888888889, 0.0714285714286], [0.266666666667, 0.0888888888889, 0.0714285714286], [0.288888888889, 0.0888888888889, 0.0714285714286], [0.311111111111, 0.0888888888889, 0.0714285714286], [0.333333333333, 0.0888888888889, 0.0714285714286], [0.355555555556, 0.0888888888889, 0.0714285714286], [0.377777777778, 0.0888888888889, 0.0714285714286], [0.4, 0.0888888888889, 0.0714285714286], [0.422222222222, 0.0888888888889, 0.0714285714286], [0.444444444444, 0.0888888888889, 0.0714285714286], [0.111111111111, 0.111111111111, 0.0714285714286], [0.133333333333, 0.111111111111, 0.0714285714286], [0.155555555556, 0.111111111111, 0.0714285714286], [0.177777777778, 0.111111111111, 0.0714285714286], [0.2, 0.111111111111, 0.0714285714286], [0.222222222222, 0.111111111111, 0.0714285714286], [0.244444444444, 0.111111111111, 0.0714285714286], [0.266666666667, 0.111111111111, 0.0714285714286], [0.288888888889, 0.111111111111, 0.0714285714286], [0.311111111111, 0.111111111111, 0.0714285714286], [0.333333333333, 0.111111111111, 0.0714285714286], [0.355555555556, 0.111111111111, 0.0714285714286], [0.377777777778, 0.111111111111, 0.0714285714286], [0.4, 0.111111111111, 0.0714285714286], [0.422222222222, 0.111111111111, 0.0714285714286], [0.444444444444, 0.111111111111, 0.0714285714286], [0.133333333333, 0.133333333333, 0.0714285714286], [0.155555555556, 0.133333333333, 0.0714285714286], [0.177777777778, 0.133333333333, 0.0714285714286], [0.2, 0.133333333333, 0.0714285714286], [0.222222222222, 0.133333333333, 0.0714285714286], [0.244444444444, 0.133333333333, 0.0714285714286], [0.266666666667, 0.133333333333, 0.0714285714286], [0.288888888889, 0.133333333333, 0.0714285714286], [0.311111111111, 0.133333333333, 0.0714285714286], [0.333333333333, 0.133333333333, 0.0714285714286], [0.355555555556, 0.133333333333, 0.0714285714286], [0.377777777778, 0.133333333333, 0.0714285714286], [0.4, 0.133333333333, 0.0714285714286], [0.422222222222, 0.133333333333, 0.0714285714286], [0.155555555556, 0.155555555556, 0.0714285714286], [0.177777777778, 0.155555555556, 0.0714285714286], [0.2, 0.155555555556, 0.0714285714286], [0.222222222222, 0.155555555556, 0.0714285714286], [0.244444444444, 0.155555555556, 0.0714285714286], [0.266666666667, 0.155555555556, 0.0714285714286], [0.288888888889, 0.155555555556, 0.0714285714286], [0.311111111111, 0.155555555556, 0.0714285714286], [0.333333333333, 0.155555555556, 0.0714285714286], [0.355555555556, 0.155555555556, 0.0714285714286], [0.377777777778, 0.155555555556, 0.0714285714286], [0.4, 0.155555555556, 0.0714285714286], [0.422222222222, 0.155555555556, 0.0714285714286], [0.177777777778, 0.177777777778, 0.0714285714286], [0.2, 0.177777777778, 0.0714285714286], [0.222222222222, 0.177777777778, 0.0714285714286], [0.244444444444, 0.177777777778, 0.0714285714286], [0.266666666667, 0.177777777778, 0.0714285714286], [0.288888888889, 0.177777777778, 0.0714285714286], [0.311111111111, 0.177777777778, 0.0714285714286], [0.333333333333, 0.177777777778, 0.0714285714286], [0.355555555556, 0.177777777778, 0.0714285714286], [0.377777777778, 0.177777777778, 0.0714285714286], [0.4, 0.177777777778, 0.0714285714286], [0.2, 0.2, 0.0714285714286], [0.222222222222, 0.2, 0.0714285714286], [0.244444444444, 0.2, 0.0714285714286], [0.266666666667, 0.2, 0.0714285714286], [0.288888888889, 0.2, 0.0714285714286], [0.311111111111, 0.2, 0.0714285714286], [0.333333333333, 0.2, 0.0714285714286], [0.355555555556, 0.2, 0.0714285714286], [0.377777777778, 0.2, 0.0714285714286], [0.4, 0.2, 0.0714285714286], [0.222222222222, 0.222222222222, 0.0714285714286], [0.244444444444, 0.222222222222, 0.0714285714286], [0.266666666667, 0.222222222222, 0.0714285714286], [0.288888888889, 0.222222222222, 0.0714285714286], [0.311111111111, 0.222222222222, 0.0714285714286], [0.333333333333, 0.222222222222, 0.0714285714286], [0.355555555556, 0.222222222222, 0.0714285714286], [0.377777777778, 0.222222222222, 0.0714285714286], [0.244444444444, 0.244444444444, 0.0714285714286], [0.266666666667, 0.244444444444, 0.0714285714286], [0.288888888889, 0.244444444444, 0.0714285714286], [0.311111111111, 0.244444444444, 0.0714285714286], [0.333333333333, 0.244444444444, 0.0714285714286], [0.355555555556, 0.244444444444, 0.0714285714286], [0.377777777778, 0.244444444444, 0.0714285714286], [0.266666666667, 0.266666666667, 0.0714285714286], [0.288888888889, 0.266666666667, 0.0714285714286], [0.311111111111, 0.266666666667, 0.0714285714286], [0.333333333333, 0.266666666667, 0.0714285714286], [0.355555555556, 0.266666666667, 0.0714285714286], [0.288888888889, 0.288888888889, 0.0714285714286], [0.311111111111, 0.288888888889, 0.0714285714286], [0.333333333333, 0.288888888889, 0.0714285714286], [0.355555555556, 0.288888888889, 0.0714285714286], [0.311111111111, 0.311111111111, 0.0714285714286], [0.333333333333, 0.311111111111, 0.0714285714286], [0.333333333333, 0.333333333333, 0.0714285714286], [0.0, 0.0, 0.107142857143], [0.0222222222222, 0.0, 0.107142857143], [0.0444444444444, 0.0, 0.107142857143], [0.0666666666667, 0.0, 0.107142857143], [0.0888888888889, 0.0, 0.107142857143], [0.111111111111, 0.0, 0.107142857143], [0.133333333333, 0.0, 0.107142857143], [0.155555555556, 0.0, 0.107142857143], [0.177777777778, 0.0, 0.107142857143], [0.2, 0.0, 0.107142857143], [0.222222222222, 0.0, 0.107142857143], [0.244444444444, 0.0, 0.107142857143], [0.266666666667, 0.0, 0.107142857143], [0.288888888889, 0.0, 0.107142857143], [0.311111111111, 0.0, 0.107142857143], [0.333333333333, 0.0, 0.107142857143], [0.355555555556, 0.0, 0.107142857143], [0.377777777778, 0.0, 0.107142857143], [0.4, 0.0, 0.107142857143], [0.422222222222, 0.0, 0.107142857143], [0.444444444444, 0.0, 0.107142857143], [0.466666666667, 0.0, 0.107142857143], [0.488888888889, 0.0, 0.107142857143], [0.0222222222222, 0.0222222222222, 0.107142857143], [0.0444444444444, 0.0222222222222, 0.107142857143], [0.0666666666667, 0.0222222222222, 0.107142857143], [0.0888888888889, 0.0222222222222, 0.107142857143], [0.111111111111, 0.0222222222222, 0.107142857143], [0.133333333333, 0.0222222222222, 0.107142857143], [0.155555555556, 0.0222222222222, 0.107142857143], [0.177777777778, 0.0222222222222, 0.107142857143], [0.2, 0.0222222222222, 0.107142857143], [0.222222222222, 0.0222222222222, 0.107142857143], [0.244444444444, 0.0222222222222, 0.107142857143], [0.266666666667, 0.0222222222222, 0.107142857143], [0.288888888889, 0.0222222222222, 0.107142857143], [0.311111111111, 0.0222222222222, 0.107142857143], [0.333333333333, 0.0222222222222, 0.107142857143], [0.355555555556, 0.0222222222222, 0.107142857143], [0.377777777778, 0.0222222222222, 0.107142857143], [0.4, 0.0222222222222, 0.107142857143], [0.422222222222, 0.0222222222222, 0.107142857143], [0.444444444444, 0.0222222222222, 0.107142857143], [0.466666666667, 0.0222222222222, 0.107142857143], [0.488888888889, 0.0222222222222, 0.107142857143], [0.0444444444444, 0.0444444444444, 0.107142857143], [0.0666666666667, 0.0444444444444, 0.107142857143], [0.0888888888889, 0.0444444444444, 0.107142857143], [0.111111111111, 0.0444444444444, 0.107142857143], [0.133333333333, 0.0444444444444, 0.107142857143], [0.155555555556, 0.0444444444444, 0.107142857143], [0.177777777778, 0.0444444444444, 0.107142857143], [0.2, 0.0444444444444, 0.107142857143], [0.222222222222, 0.0444444444444, 0.107142857143], [0.244444444444, 0.0444444444444, 0.107142857143], [0.266666666667, 0.0444444444444, 0.107142857143], [0.288888888889, 0.0444444444444, 0.107142857143], [0.311111111111, 0.0444444444444, 0.107142857143], [0.333333333333, 0.0444444444444, 0.107142857143], [0.355555555556, 0.0444444444444, 0.107142857143], [0.377777777778, 0.0444444444444, 0.107142857143], [0.4, 0.0444444444444, 0.107142857143], [0.422222222222, 0.0444444444444, 0.107142857143], [0.444444444444, 0.0444444444444, 0.107142857143], [0.466666666667, 0.0444444444444, 0.107142857143], [0.0666666666667, 0.0666666666667, 0.107142857143], [0.0888888888889, 0.0666666666667, 0.107142857143], [0.111111111111, 0.0666666666667, 0.107142857143], [0.133333333333, 0.0666666666667, 0.107142857143], [0.155555555556, 0.0666666666667, 0.107142857143], [0.177777777778, 0.0666666666667, 0.107142857143], [0.2, 0.0666666666667, 0.107142857143], [0.222222222222, 0.0666666666667, 0.107142857143], [0.244444444444, 0.0666666666667, 0.107142857143], [0.266666666667, 0.0666666666667, 0.107142857143], [0.288888888889, 0.0666666666667, 0.107142857143], [0.311111111111, 0.0666666666667, 0.107142857143], [0.333333333333, 0.0666666666667, 0.107142857143], [0.355555555556, 0.0666666666667, 0.107142857143], [0.377777777778, 0.0666666666667, 0.107142857143], [0.4, 0.0666666666667, 0.107142857143], [0.422222222222, 0.0666666666667, 0.107142857143], [0.444444444444, 0.0666666666667, 0.107142857143], [0.466666666667, 0.0666666666667, 0.107142857143], [0.0888888888889, 0.0888888888889, 0.107142857143], [0.111111111111, 0.0888888888889, 0.107142857143], [0.133333333333, 0.0888888888889, 0.107142857143], [0.155555555556, 0.0888888888889, 0.107142857143], [0.177777777778, 0.0888888888889, 0.107142857143], [0.2, 0.0888888888889, 0.107142857143], [0.222222222222, 0.0888888888889, 0.107142857143], [0.244444444444, 0.0888888888889, 0.107142857143], [0.266666666667, 0.0888888888889, 0.107142857143], [0.288888888889, 0.0888888888889, 0.107142857143], [0.311111111111, 0.0888888888889, 0.107142857143], [0.333333333333, 0.0888888888889, 0.107142857143], [0.355555555556, 0.0888888888889, 0.107142857143], [0.377777777778, 0.0888888888889, 0.107142857143], [0.4, 0.0888888888889, 0.107142857143], [0.422222222222, 0.0888888888889, 0.107142857143], [0.444444444444, 0.0888888888889, 0.107142857143], [0.111111111111, 0.111111111111, 0.107142857143], [0.133333333333, 0.111111111111, 0.107142857143], [0.155555555556, 0.111111111111, 0.107142857143], [0.177777777778, 0.111111111111, 0.107142857143], [0.2, 0.111111111111, 0.107142857143], [0.222222222222, 0.111111111111, 0.107142857143], [0.244444444444, 0.111111111111, 0.107142857143], [0.266666666667, 0.111111111111, 0.107142857143], [0.288888888889, 0.111111111111, 0.107142857143], [0.311111111111, 0.111111111111, 0.107142857143], [0.333333333333, 0.111111111111, 0.107142857143], [0.355555555556, 0.111111111111, 0.107142857143], [0.377777777778, 0.111111111111, 0.107142857143], [0.4, 0.111111111111, 0.107142857143], [0.422222222222, 0.111111111111, 0.107142857143], [0.444444444444, 0.111111111111, 0.107142857143], [0.133333333333, 0.133333333333, 0.107142857143], [0.155555555556, 0.133333333333, 0.107142857143], [0.177777777778, 0.133333333333, 0.107142857143], [0.2, 0.133333333333, 0.107142857143], [0.222222222222, 0.133333333333, 0.107142857143], [0.244444444444, 0.133333333333, 0.107142857143], [0.266666666667, 0.133333333333, 0.107142857143], [0.288888888889, 0.133333333333, 0.107142857143], [0.311111111111, 0.133333333333, 0.107142857143], [0.333333333333, 0.133333333333, 0.107142857143], [0.355555555556, 0.133333333333, 0.107142857143], [0.377777777778, 0.133333333333, 0.107142857143], [0.4, 0.133333333333, 0.107142857143], [0.422222222222, 0.133333333333, 0.107142857143], [0.155555555556, 0.155555555556, 0.107142857143], [0.177777777778, 0.155555555556, 0.107142857143], [0.2, 0.155555555556, 0.107142857143], [0.222222222222, 0.155555555556, 0.107142857143], [0.244444444444, 0.155555555556, 0.107142857143], [0.266666666667, 0.155555555556, 0.107142857143], [0.288888888889, 0.155555555556, 0.107142857143], [0.311111111111, 0.155555555556, 0.107142857143], [0.333333333333, 0.155555555556, 0.107142857143], [0.355555555556, 0.155555555556, 0.107142857143], [0.377777777778, 0.155555555556, 0.107142857143], [0.4, 0.155555555556, 0.107142857143], [0.422222222222, 0.155555555556, 0.107142857143], [0.177777777778, 0.177777777778, 0.107142857143], [0.2, 0.177777777778, 0.107142857143], [0.222222222222, 0.177777777778, 0.107142857143], [0.244444444444, 0.177777777778, 0.107142857143], [0.266666666667, 0.177777777778, 0.107142857143], [0.288888888889, 0.177777777778, 0.107142857143], [0.311111111111, 0.177777777778, 0.107142857143], [0.333333333333, 0.177777777778, 0.107142857143], [0.355555555556, 0.177777777778, 0.107142857143], [0.377777777778, 0.177777777778, 0.107142857143], [0.4, 0.177777777778, 0.107142857143], [0.2, 0.2, 0.107142857143], [0.222222222222, 0.2, 0.107142857143], [0.244444444444, 0.2, 0.107142857143], [0.266666666667, 0.2, 0.107142857143], [0.288888888889, 0.2, 0.107142857143], [0.311111111111, 0.2, 0.107142857143], [0.333333333333, 0.2, 0.107142857143], [0.355555555556, 0.2, 0.107142857143], [0.377777777778, 0.2, 0.107142857143], [0.4, 0.2, 0.107142857143], [0.222222222222, 0.222222222222, 0.107142857143], [0.244444444444, 0.222222222222, 0.107142857143], [0.266666666667, 0.222222222222, 0.107142857143], [0.288888888889, 0.222222222222, 0.107142857143], [0.311111111111, 0.222222222222, 0.107142857143], [0.333333333333, 0.222222222222, 0.107142857143], [0.355555555556, 0.222222222222, 0.107142857143], [0.377777777778, 0.222222222222, 0.107142857143], [0.244444444444, 0.244444444444, 0.107142857143], [0.266666666667, 0.244444444444, 0.107142857143], [0.288888888889, 0.244444444444, 0.107142857143], [0.311111111111, 0.244444444444, 0.107142857143], [0.333333333333, 0.244444444444, 0.107142857143], [0.355555555556, 0.244444444444, 0.107142857143], [0.377777777778, 0.244444444444, 0.107142857143], [0.266666666667, 0.266666666667, 0.107142857143], [0.288888888889, 0.266666666667, 0.107142857143], [0.311111111111, 0.266666666667, 0.107142857143], [0.333333333333, 0.266666666667, 0.107142857143], [0.355555555556, 0.266666666667, 0.107142857143], [0.288888888889, 0.288888888889, 0.107142857143], [0.311111111111, 0.288888888889, 0.107142857143], [0.333333333333, 0.288888888889, 0.107142857143], [0.355555555556, 0.288888888889, 0.107142857143], [0.311111111111, 0.311111111111, 0.107142857143], [0.333333333333, 0.311111111111, 0.107142857143], [0.333333333333, 0.333333333333, 0.107142857143], [0.0, 0.0, 0.142857142857], [0.0222222222222, 0.0, 0.142857142857], [0.0444444444444, 0.0, 0.142857142857], [0.0666666666667, 0.0, 0.142857142857], [0.0888888888889, 0.0, 0.142857142857], [0.111111111111, 0.0, 0.142857142857], [0.133333333333, 0.0, 0.142857142857], [0.155555555556, 0.0, 0.142857142857], [0.177777777778, 0.0, 0.142857142857], [0.2, 0.0, 0.142857142857], [0.222222222222, 0.0, 0.142857142857], [0.244444444444, 0.0, 0.142857142857], [0.266666666667, 0.0, 0.142857142857], [0.288888888889, 0.0, 0.142857142857], [0.311111111111, 0.0, 0.142857142857], [0.333333333333, 0.0, 0.142857142857], [0.355555555556, 0.0, 0.142857142857], [0.377777777778, 0.0, 0.142857142857], [0.4, 0.0, 0.142857142857], [0.422222222222, 0.0, 0.142857142857], [0.444444444444, 0.0, 0.142857142857], [0.466666666667, 0.0, 0.142857142857], [0.488888888889, 0.0, 0.142857142857], [0.0222222222222, 0.0222222222222, 0.142857142857], [0.0444444444444, 0.0222222222222, 0.142857142857], [0.0666666666667, 0.0222222222222, 0.142857142857], [0.0888888888889, 0.0222222222222, 0.142857142857], [0.111111111111, 0.0222222222222, 0.142857142857], [0.133333333333, 0.0222222222222, 0.142857142857], [0.155555555556, 0.0222222222222, 0.142857142857], [0.177777777778, 0.0222222222222, 0.142857142857], [0.2, 0.0222222222222, 0.142857142857], [0.222222222222, 0.0222222222222, 0.142857142857], [0.244444444444, 0.0222222222222, 0.142857142857], [0.266666666667, 0.0222222222222, 0.142857142857], [0.288888888889, 0.0222222222222, 0.142857142857], [0.311111111111, 0.0222222222222, 0.142857142857], [0.333333333333, 0.0222222222222, 0.142857142857], [0.355555555556, 0.0222222222222, 0.142857142857], [0.377777777778, 0.0222222222222, 0.142857142857], [0.4, 0.0222222222222, 0.142857142857], [0.422222222222, 0.0222222222222, 0.142857142857], [0.444444444444, 0.0222222222222, 0.142857142857], [0.466666666667, 0.0222222222222, 0.142857142857], [0.488888888889, 0.0222222222222, 0.142857142857], [0.0444444444444, 0.0444444444444, 0.142857142857], [0.0666666666667, 0.0444444444444, 0.142857142857], [0.0888888888889, 0.0444444444444, 0.142857142857], [0.111111111111, 0.0444444444444, 0.142857142857], [0.133333333333, 0.0444444444444, 0.142857142857], [0.155555555556, 0.0444444444444, 0.142857142857], [0.177777777778, 0.0444444444444, 0.142857142857], [0.2, 0.0444444444444, 0.142857142857], [0.222222222222, 0.0444444444444, 0.142857142857], [0.244444444444, 0.0444444444444, 0.142857142857], [0.266666666667, 0.0444444444444, 0.142857142857], [0.288888888889, 0.0444444444444, 0.142857142857], [0.311111111111, 0.0444444444444, 0.142857142857], [0.333333333333, 0.0444444444444, 0.142857142857], [0.355555555556, 0.0444444444444, 0.142857142857], [0.377777777778, 0.0444444444444, 0.142857142857], [0.4, 0.0444444444444, 0.142857142857], [0.422222222222, 0.0444444444444, 0.142857142857], [0.444444444444, 0.0444444444444, 0.142857142857], [0.466666666667, 0.0444444444444, 0.142857142857], [0.0666666666667, 0.0666666666667, 0.142857142857], [0.0888888888889, 0.0666666666667, 0.142857142857], [0.111111111111, 0.0666666666667, 0.142857142857], [0.133333333333, 0.0666666666667, 0.142857142857], [0.155555555556, 0.0666666666667, 0.142857142857], [0.177777777778, 0.0666666666667, 0.142857142857], [0.2, 0.0666666666667, 0.142857142857], [0.222222222222, 0.0666666666667, 0.142857142857], [0.244444444444, 0.0666666666667, 0.142857142857], [0.266666666667, 0.0666666666667, 0.142857142857], [0.288888888889, 0.0666666666667, 0.142857142857], [0.311111111111, 0.0666666666667, 0.142857142857], [0.333333333333, 0.0666666666667, 0.142857142857], [0.355555555556, 0.0666666666667, 0.142857142857], [0.377777777778, 0.0666666666667, 0.142857142857], [0.4, 0.0666666666667, 0.142857142857], [0.422222222222, 0.0666666666667, 0.142857142857], [0.444444444444, 0.0666666666667, 0.142857142857], [0.466666666667, 0.0666666666667, 0.142857142857], [0.0888888888889, 0.0888888888889, 0.142857142857], [0.111111111111, 0.0888888888889, 0.142857142857], [0.133333333333, 0.0888888888889, 0.142857142857], [0.155555555556, 0.0888888888889, 0.142857142857], [0.177777777778, 0.0888888888889, 0.142857142857], [0.2, 0.0888888888889, 0.142857142857], [0.222222222222, 0.0888888888889, 0.142857142857], [0.244444444444, 0.0888888888889, 0.142857142857], [0.266666666667, 0.0888888888889, 0.142857142857], [0.288888888889, 0.0888888888889, 0.142857142857], [0.311111111111, 0.0888888888889, 0.142857142857], [0.333333333333, 0.0888888888889, 0.142857142857], [0.355555555556, 0.0888888888889, 0.142857142857], [0.377777777778, 0.0888888888889, 0.142857142857], [0.4, 0.0888888888889, 0.142857142857], [0.422222222222, 0.0888888888889, 0.142857142857], [0.444444444444, 0.0888888888889, 0.142857142857], [0.111111111111, 0.111111111111, 0.142857142857], [0.133333333333, 0.111111111111, 0.142857142857], [0.155555555556, 0.111111111111, 0.142857142857], [0.177777777778, 0.111111111111, 0.142857142857], [0.2, 0.111111111111, 0.142857142857], [0.222222222222, 0.111111111111, 0.142857142857], [0.244444444444, 0.111111111111, 0.142857142857], [0.266666666667, 0.111111111111, 0.142857142857], [0.288888888889, 0.111111111111, 0.142857142857], [0.311111111111, 0.111111111111, 0.142857142857], [0.333333333333, 0.111111111111, 0.142857142857], [0.355555555556, 0.111111111111, 0.142857142857], [0.377777777778, 0.111111111111, 0.142857142857], [0.4, 0.111111111111, 0.142857142857], [0.422222222222, 0.111111111111, 0.142857142857], [0.444444444444, 0.111111111111, 0.142857142857], [0.133333333333, 0.133333333333, 0.142857142857], [0.155555555556, 0.133333333333, 0.142857142857], [0.177777777778, 0.133333333333, 0.142857142857], [0.2, 0.133333333333, 0.142857142857], [0.222222222222, 0.133333333333, 0.142857142857], [0.244444444444, 0.133333333333, 0.142857142857], [0.266666666667, 0.133333333333, 0.142857142857], [0.288888888889, 0.133333333333, 0.142857142857], [0.311111111111, 0.133333333333, 0.142857142857], [0.333333333333, 0.133333333333, 0.142857142857], [0.355555555556, 0.133333333333, 0.142857142857], [0.377777777778, 0.133333333333, 0.142857142857], [0.4, 0.133333333333, 0.142857142857], [0.422222222222, 0.133333333333, 0.142857142857], [0.155555555556, 0.155555555556, 0.142857142857], [0.177777777778, 0.155555555556, 0.142857142857], [0.2, 0.155555555556, 0.142857142857], [0.222222222222, 0.155555555556, 0.142857142857], [0.244444444444, 0.155555555556, 0.142857142857], [0.266666666667, 0.155555555556, 0.142857142857], [0.288888888889, 0.155555555556, 0.142857142857], [0.311111111111, 0.155555555556, 0.142857142857], [0.333333333333, 0.155555555556, 0.142857142857], [0.355555555556, 0.155555555556, 0.142857142857], [0.377777777778, 0.155555555556, 0.142857142857], [0.4, 0.155555555556, 0.142857142857], [0.422222222222, 0.155555555556, 0.142857142857], [0.177777777778, 0.177777777778, 0.142857142857], [0.2, 0.177777777778, 0.142857142857], [0.222222222222, 0.177777777778, 0.142857142857], [0.244444444444, 0.177777777778, 0.142857142857], [0.266666666667, 0.177777777778, 0.142857142857], [0.288888888889, 0.177777777778, 0.142857142857], [0.311111111111, 0.177777777778, 0.142857142857], [0.333333333333, 0.177777777778, 0.142857142857], [0.355555555556, 0.177777777778, 0.142857142857], [0.377777777778, 0.177777777778, 0.142857142857], [0.4, 0.177777777778, 0.142857142857], [0.2, 0.2, 0.142857142857], [0.222222222222, 0.2, 0.142857142857], [0.244444444444, 0.2, 0.142857142857], [0.266666666667, 0.2, 0.142857142857], [0.288888888889, 0.2, 0.142857142857], [0.311111111111, 0.2, 0.142857142857], [0.333333333333, 0.2, 0.142857142857], [0.355555555556, 0.2, 0.142857142857], [0.377777777778, 0.2, 0.142857142857], [0.4, 0.2, 0.142857142857], [0.222222222222, 0.222222222222, 0.142857142857], [0.244444444444, 0.222222222222, 0.142857142857], [0.266666666667, 0.222222222222, 0.142857142857], [0.288888888889, 0.222222222222, 0.142857142857], [0.311111111111, 0.222222222222, 0.142857142857], [0.333333333333, 0.222222222222, 0.142857142857], [0.355555555556, 0.222222222222, 0.142857142857], [0.377777777778, 0.222222222222, 0.142857142857], [0.244444444444, 0.244444444444, 0.142857142857], [0.266666666667, 0.244444444444, 0.142857142857], [0.288888888889, 0.244444444444, 0.142857142857], [0.311111111111, 0.244444444444, 0.142857142857], [0.333333333333, 0.244444444444, 0.142857142857], [0.355555555556, 0.244444444444, 0.142857142857], [0.377777777778, 0.244444444444, 0.142857142857], [0.266666666667, 0.266666666667, 0.142857142857], [0.288888888889, 0.266666666667, 0.142857142857], [0.311111111111, 0.266666666667, 0.142857142857], [0.333333333333, 0.266666666667, 0.142857142857], [0.355555555556, 0.266666666667, 0.142857142857], [0.288888888889, 0.288888888889, 0.142857142857], [0.311111111111, 0.288888888889, 0.142857142857], [0.333333333333, 0.288888888889, 0.142857142857], [0.355555555556, 0.288888888889, 0.142857142857], [0.311111111111, 0.311111111111, 0.142857142857], [0.333333333333, 0.311111111111, 0.142857142857], [0.333333333333, 0.333333333333, 0.142857142857], [0.0, 0.0, 0.178571428571], [0.0222222222222, 0.0, 0.178571428571], [0.0444444444444, 0.0, 0.178571428571], [0.0666666666667, 0.0, 0.178571428571], [0.0888888888889, 0.0, 0.178571428571], [0.111111111111, 0.0, 0.178571428571], [0.133333333333, 0.0, 0.178571428571], [0.155555555556, 0.0, 0.178571428571], [0.177777777778, 0.0, 0.178571428571], [0.2, 0.0, 0.178571428571], [0.222222222222, 0.0, 0.178571428571], [0.244444444444, 0.0, 0.178571428571], [0.266666666667, 0.0, 0.178571428571], [0.288888888889, 0.0, 0.178571428571], [0.311111111111, 0.0, 0.178571428571], [0.333333333333, 0.0, 0.178571428571], [0.355555555556, 0.0, 0.178571428571], [0.377777777778, 0.0, 0.178571428571], [0.4, 0.0, 0.178571428571], [0.422222222222, 0.0, 0.178571428571], [0.444444444444, 0.0, 0.178571428571], [0.466666666667, 0.0, 0.178571428571], [0.488888888889, 0.0, 0.178571428571], [0.0222222222222, 0.0222222222222, 0.178571428571], [0.0444444444444, 0.0222222222222, 0.178571428571], [0.0666666666667, 0.0222222222222, 0.178571428571], [0.0888888888889, 0.0222222222222, 0.178571428571], [0.111111111111, 0.0222222222222, 0.178571428571], [0.133333333333, 0.0222222222222, 0.178571428571], [0.155555555556, 0.0222222222222, 0.178571428571], [0.177777777778, 0.0222222222222, 0.178571428571], [0.2, 0.0222222222222, 0.178571428571], [0.222222222222, 0.0222222222222, 0.178571428571], [0.244444444444, 0.0222222222222, 0.178571428571], [0.266666666667, 0.0222222222222, 0.178571428571], [0.288888888889, 0.0222222222222, 0.178571428571], [0.311111111111, 0.0222222222222, 0.178571428571], [0.333333333333, 0.0222222222222, 0.178571428571], [0.355555555556, 0.0222222222222, 0.178571428571], [0.377777777778, 0.0222222222222, 0.178571428571], [0.4, 0.0222222222222, 0.178571428571], [0.422222222222, 0.0222222222222, 0.178571428571], [0.444444444444, 0.0222222222222, 0.178571428571], [0.466666666667, 0.0222222222222, 0.178571428571], [0.488888888889, 0.0222222222222, 0.178571428571], [0.0444444444444, 0.0444444444444, 0.178571428571], [0.0666666666667, 0.0444444444444, 0.178571428571], [0.0888888888889, 0.0444444444444, 0.178571428571], [0.111111111111, 0.0444444444444, 0.178571428571], [0.133333333333, 0.0444444444444, 0.178571428571], [0.155555555556, 0.0444444444444, 0.178571428571], [0.177777777778, 0.0444444444444, 0.178571428571], [0.2, 0.0444444444444, 0.178571428571], [0.222222222222, 0.0444444444444, 0.178571428571], [0.244444444444, 0.0444444444444, 0.178571428571], [0.266666666667, 0.0444444444444, 0.178571428571], [0.288888888889, 0.0444444444444, 0.178571428571], [0.311111111111, 0.0444444444444, 0.178571428571], [0.333333333333, 0.0444444444444, 0.178571428571], [0.355555555556, 0.0444444444444, 0.178571428571], [0.377777777778, 0.0444444444444, 0.178571428571], [0.4, 0.0444444444444, 0.178571428571], [0.422222222222, 0.0444444444444, 0.178571428571], [0.444444444444, 0.0444444444444, 0.178571428571], [0.466666666667, 0.0444444444444, 0.178571428571], [0.0666666666667, 0.0666666666667, 0.178571428571], [0.0888888888889, 0.0666666666667, 0.178571428571], [0.111111111111, 0.0666666666667, 0.178571428571], [0.133333333333, 0.0666666666667, 0.178571428571], [0.155555555556, 0.0666666666667, 0.178571428571], [0.177777777778, 0.0666666666667, 0.178571428571], [0.2, 0.0666666666667, 0.178571428571], [0.222222222222, 0.0666666666667, 0.178571428571], [0.244444444444, 0.0666666666667, 0.178571428571], [0.266666666667, 0.0666666666667, 0.178571428571], [0.288888888889, 0.0666666666667, 0.178571428571], [0.311111111111, 0.0666666666667, 0.178571428571], [0.333333333333, 0.0666666666667, 0.178571428571], [0.355555555556, 0.0666666666667, 0.178571428571], [0.377777777778, 0.0666666666667, 0.178571428571], [0.4, 0.0666666666667, 0.178571428571], [0.422222222222, 0.0666666666667, 0.178571428571], [0.444444444444, 0.0666666666667, 0.178571428571], [0.466666666667, 0.0666666666667, 0.178571428571], [0.0888888888889, 0.0888888888889, 0.178571428571], [0.111111111111, 0.0888888888889, 0.178571428571], [0.133333333333, 0.0888888888889, 0.178571428571], [0.155555555556, 0.0888888888889, 0.178571428571], [0.177777777778, 0.0888888888889, 0.178571428571], [0.2, 0.0888888888889, 0.178571428571], [0.222222222222, 0.0888888888889, 0.178571428571], [0.244444444444, 0.0888888888889, 0.178571428571], [0.266666666667, 0.0888888888889, 0.178571428571], [0.288888888889, 0.0888888888889, 0.178571428571], [0.311111111111, 0.0888888888889, 0.178571428571], [0.333333333333, 0.0888888888889, 0.178571428571], [0.355555555556, 0.0888888888889, 0.178571428571], [0.377777777778, 0.0888888888889, 0.178571428571], [0.4, 0.0888888888889, 0.178571428571], [0.422222222222, 0.0888888888889, 0.178571428571], [0.444444444444, 0.0888888888889, 0.178571428571], [0.111111111111, 0.111111111111, 0.178571428571], [0.133333333333, 0.111111111111, 0.178571428571], [0.155555555556, 0.111111111111, 0.178571428571], [0.177777777778, 0.111111111111, 0.178571428571], [0.2, 0.111111111111, 0.178571428571], [0.222222222222, 0.111111111111, 0.178571428571], [0.244444444444, 0.111111111111, 0.178571428571], [0.266666666667, 0.111111111111, 0.178571428571], [0.288888888889, 0.111111111111, 0.178571428571], [0.311111111111, 0.111111111111, 0.178571428571], [0.333333333333, 0.111111111111, 0.178571428571], [0.355555555556, 0.111111111111, 0.178571428571], [0.377777777778, 0.111111111111, 0.178571428571], [0.4, 0.111111111111, 0.178571428571], [0.422222222222, 0.111111111111, 0.178571428571], [0.444444444444, 0.111111111111, 0.178571428571], [0.133333333333, 0.133333333333, 0.178571428571], [0.155555555556, 0.133333333333, 0.178571428571], [0.177777777778, 0.133333333333, 0.178571428571], [0.2, 0.133333333333, 0.178571428571], [0.222222222222, 0.133333333333, 0.178571428571], [0.244444444444, 0.133333333333, 0.178571428571], [0.266666666667, 0.133333333333, 0.178571428571], [0.288888888889, 0.133333333333, 0.178571428571], [0.311111111111, 0.133333333333, 0.178571428571], [0.333333333333, 0.133333333333, 0.178571428571], [0.355555555556, 0.133333333333, 0.178571428571], [0.377777777778, 0.133333333333, 0.178571428571], [0.4, 0.133333333333, 0.178571428571], [0.422222222222, 0.133333333333, 0.178571428571], [0.155555555556, 0.155555555556, 0.178571428571], [0.177777777778, 0.155555555556, 0.178571428571], [0.2, 0.155555555556, 0.178571428571], [0.222222222222, 0.155555555556, 0.178571428571], [0.244444444444, 0.155555555556, 0.178571428571], [0.266666666667, 0.155555555556, 0.178571428571], [0.288888888889, 0.155555555556, 0.178571428571], [0.311111111111, 0.155555555556, 0.178571428571], [0.333333333333, 0.155555555556, 0.178571428571], [0.355555555556, 0.155555555556, 0.178571428571], [0.377777777778, 0.155555555556, 0.178571428571], [0.4, 0.155555555556, 0.178571428571], [0.422222222222, 0.155555555556, 0.178571428571], [0.177777777778, 0.177777777778, 0.178571428571], [0.2, 0.177777777778, 0.178571428571], [0.222222222222, 0.177777777778, 0.178571428571], [0.244444444444, 0.177777777778, 0.178571428571], [0.266666666667, 0.177777777778, 0.178571428571], [0.288888888889, 0.177777777778, 0.178571428571], [0.311111111111, 0.177777777778, 0.178571428571], [0.333333333333, 0.177777777778, 0.178571428571], [0.355555555556, 0.177777777778, 0.178571428571], [0.377777777778, 0.177777777778, 0.178571428571], [0.4, 0.177777777778, 0.178571428571], [0.2, 0.2, 0.178571428571], [0.222222222222, 0.2, 0.178571428571], [0.244444444444, 0.2, 0.178571428571], [0.266666666667, 0.2, 0.178571428571], [0.288888888889, 0.2, 0.178571428571], [0.311111111111, 0.2, 0.178571428571], [0.333333333333, 0.2, 0.178571428571], [0.355555555556, 0.2, 0.178571428571], [0.377777777778, 0.2, 0.178571428571], [0.4, 0.2, 0.178571428571], [0.222222222222, 0.222222222222, 0.178571428571], [0.244444444444, 0.222222222222, 0.178571428571], [0.266666666667, 0.222222222222, 0.178571428571], [0.288888888889, 0.222222222222, 0.178571428571], [0.311111111111, 0.222222222222, 0.178571428571], [0.333333333333, 0.222222222222, 0.178571428571], [0.355555555556, 0.222222222222, 0.178571428571], [0.377777777778, 0.222222222222, 0.178571428571], [0.244444444444, 0.244444444444, 0.178571428571], [0.266666666667, 0.244444444444, 0.178571428571], [0.288888888889, 0.244444444444, 0.178571428571], [0.311111111111, 0.244444444444, 0.178571428571], [0.333333333333, 0.244444444444, 0.178571428571], [0.355555555556, 0.244444444444, 0.178571428571], [0.377777777778, 0.244444444444, 0.178571428571], [0.266666666667, 0.266666666667, 0.178571428571], [0.288888888889, 0.266666666667, 0.178571428571], [0.311111111111, 0.266666666667, 0.178571428571], [0.333333333333, 0.266666666667, 0.178571428571], [0.355555555556, 0.266666666667, 0.178571428571], [0.288888888889, 0.288888888889, 0.178571428571], [0.311111111111, 0.288888888889, 0.178571428571], [0.333333333333, 0.288888888889, 0.178571428571], [0.355555555556, 0.288888888889, 0.178571428571], [0.311111111111, 0.311111111111, 0.178571428571], [0.333333333333, 0.311111111111, 0.178571428571], [0.333333333333, 0.333333333333, 0.178571428571], [0.0, 0.0, 0.214285714286], [0.0222222222222, 0.0, 0.214285714286], [0.0444444444444, 0.0, 0.214285714286], [0.0666666666667, 0.0, 0.214285714286], [0.0888888888889, 0.0, 0.214285714286], [0.111111111111, 0.0, 0.214285714286], [0.133333333333, 0.0, 0.214285714286], [0.155555555556, 0.0, 0.214285714286], [0.177777777778, 0.0, 0.214285714286], [0.2, 0.0, 0.214285714286], [0.222222222222, 0.0, 0.214285714286], [0.244444444444, 0.0, 0.214285714286], [0.266666666667, 0.0, 0.214285714286], [0.288888888889, 0.0, 0.214285714286], [0.311111111111, 0.0, 0.214285714286], [0.333333333333, 0.0, 0.214285714286], [0.355555555556, 0.0, 0.214285714286], [0.377777777778, 0.0, 0.214285714286], [0.4, 0.0, 0.214285714286], [0.422222222222, 0.0, 0.214285714286], [0.444444444444, 0.0, 0.214285714286], [0.466666666667, 0.0, 0.214285714286], [0.488888888889, 0.0, 0.214285714286], [0.0222222222222, 0.0222222222222, 0.214285714286], [0.0444444444444, 0.0222222222222, 0.214285714286], [0.0666666666667, 0.0222222222222, 0.214285714286], [0.0888888888889, 0.0222222222222, 0.214285714286], [0.111111111111, 0.0222222222222, 0.214285714286], [0.133333333333, 0.0222222222222, 0.214285714286], [0.155555555556, 0.0222222222222, 0.214285714286], [0.177777777778, 0.0222222222222, 0.214285714286], [0.2, 0.0222222222222, 0.214285714286], [0.222222222222, 0.0222222222222, 0.214285714286], [0.244444444444, 0.0222222222222, 0.214285714286], [0.266666666667, 0.0222222222222, 0.214285714286], [0.288888888889, 0.0222222222222, 0.214285714286], [0.311111111111, 0.0222222222222, 0.214285714286], [0.333333333333, 0.0222222222222, 0.214285714286], [0.355555555556, 0.0222222222222, 0.214285714286], [0.377777777778, 0.0222222222222, 0.214285714286], [0.4, 0.0222222222222, 0.214285714286], [0.422222222222, 0.0222222222222, 0.214285714286], [0.444444444444, 0.0222222222222, 0.214285714286], [0.466666666667, 0.0222222222222, 0.214285714286], [0.488888888889, 0.0222222222222, 0.214285714286], [0.0444444444444, 0.0444444444444, 0.214285714286], [0.0666666666667, 0.0444444444444, 0.214285714286], [0.0888888888889, 0.0444444444444, 0.214285714286], [0.111111111111, 0.0444444444444, 0.214285714286], [0.133333333333, 0.0444444444444, 0.214285714286], [0.155555555556, 0.0444444444444, 0.214285714286], [0.177777777778, 0.0444444444444, 0.214285714286], [0.2, 0.0444444444444, 0.214285714286], [0.222222222222, 0.0444444444444, 0.214285714286], [0.244444444444, 0.0444444444444, 0.214285714286], [0.266666666667, 0.0444444444444, 0.214285714286], [0.288888888889, 0.0444444444444, 0.214285714286], [0.311111111111, 0.0444444444444, 0.214285714286], [0.333333333333, 0.0444444444444, 0.214285714286], [0.355555555556, 0.0444444444444, 0.214285714286], [0.377777777778, 0.0444444444444, 0.214285714286], [0.4, 0.0444444444444, 0.214285714286], [0.422222222222, 0.0444444444444, 0.214285714286], [0.444444444444, 0.0444444444444, 0.214285714286], [0.466666666667, 0.0444444444444, 0.214285714286], [0.0666666666667, 0.0666666666667, 0.214285714286], [0.0888888888889, 0.0666666666667, 0.214285714286], [0.111111111111, 0.0666666666667, 0.214285714286], [0.133333333333, 0.0666666666667, 0.214285714286], [0.155555555556, 0.0666666666667, 0.214285714286], [0.177777777778, 0.0666666666667, 0.214285714286], [0.2, 0.0666666666667, 0.214285714286], [0.222222222222, 0.0666666666667, 0.214285714286], [0.244444444444, 0.0666666666667, 0.214285714286], [0.266666666667, 0.0666666666667, 0.214285714286], [0.288888888889, 0.0666666666667, 0.214285714286], [0.311111111111, 0.0666666666667, 0.214285714286], [0.333333333333, 0.0666666666667, 0.214285714286], [0.355555555556, 0.0666666666667, 0.214285714286], [0.377777777778, 0.0666666666667, 0.214285714286], [0.4, 0.0666666666667, 0.214285714286], [0.422222222222, 0.0666666666667, 0.214285714286], [0.444444444444, 0.0666666666667, 0.214285714286], [0.466666666667, 0.0666666666667, 0.214285714286], [0.0888888888889, 0.0888888888889, 0.214285714286], [0.111111111111, 0.0888888888889, 0.214285714286], [0.133333333333, 0.0888888888889, 0.214285714286], [0.155555555556, 0.0888888888889, 0.214285714286], [0.177777777778, 0.0888888888889, 0.214285714286], [0.2, 0.0888888888889, 0.214285714286], [0.222222222222, 0.0888888888889, 0.214285714286], [0.244444444444, 0.0888888888889, 0.214285714286], [0.266666666667, 0.0888888888889, 0.214285714286], [0.288888888889, 0.0888888888889, 0.214285714286], [0.311111111111, 0.0888888888889, 0.214285714286], [0.333333333333, 0.0888888888889, 0.214285714286], [0.355555555556, 0.0888888888889, 0.214285714286], [0.377777777778, 0.0888888888889, 0.214285714286], [0.4, 0.0888888888889, 0.214285714286], [0.422222222222, 0.0888888888889, 0.214285714286], [0.444444444444, 0.0888888888889, 0.214285714286], [0.111111111111, 0.111111111111, 0.214285714286], [0.133333333333, 0.111111111111, 0.214285714286], [0.155555555556, 0.111111111111, 0.214285714286], [0.177777777778, 0.111111111111, 0.214285714286], [0.2, 0.111111111111, 0.214285714286], [0.222222222222, 0.111111111111, 0.214285714286], [0.244444444444, 0.111111111111, 0.214285714286], [0.266666666667, 0.111111111111, 0.214285714286], [0.288888888889, 0.111111111111, 0.214285714286], [0.311111111111, 0.111111111111, 0.214285714286], [0.333333333333, 0.111111111111, 0.214285714286], [0.355555555556, 0.111111111111, 0.214285714286], [0.377777777778, 0.111111111111, 0.214285714286], [0.4, 0.111111111111, 0.214285714286], [0.422222222222, 0.111111111111, 0.214285714286], [0.444444444444, 0.111111111111, 0.214285714286], [0.133333333333, 0.133333333333, 0.214285714286], [0.155555555556, 0.133333333333, 0.214285714286], [0.177777777778, 0.133333333333, 0.214285714286], [0.2, 0.133333333333, 0.214285714286], [0.222222222222, 0.133333333333, 0.214285714286], [0.244444444444, 0.133333333333, 0.214285714286], [0.266666666667, 0.133333333333, 0.214285714286], [0.288888888889, 0.133333333333, 0.214285714286], [0.311111111111, 0.133333333333, 0.214285714286], [0.333333333333, 0.133333333333, 0.214285714286], [0.355555555556, 0.133333333333, 0.214285714286], [0.377777777778, 0.133333333333, 0.214285714286], [0.4, 0.133333333333, 0.214285714286], [0.422222222222, 0.133333333333, 0.214285714286], [0.155555555556, 0.155555555556, 0.214285714286], [0.177777777778, 0.155555555556, 0.214285714286], [0.2, 0.155555555556, 0.214285714286], [0.222222222222, 0.155555555556, 0.214285714286], [0.244444444444, 0.155555555556, 0.214285714286], [0.266666666667, 0.155555555556, 0.214285714286], [0.288888888889, 0.155555555556, 0.214285714286], [0.311111111111, 0.155555555556, 0.214285714286], [0.333333333333, 0.155555555556, 0.214285714286], [0.355555555556, 0.155555555556, 0.214285714286], [0.377777777778, 0.155555555556, 0.214285714286], [0.4, 0.155555555556, 0.214285714286], [0.422222222222, 0.155555555556, 0.214285714286], [0.177777777778, 0.177777777778, 0.214285714286], [0.2, 0.177777777778, 0.214285714286], [0.222222222222, 0.177777777778, 0.214285714286], [0.244444444444, 0.177777777778, 0.214285714286], [0.266666666667, 0.177777777778, 0.214285714286], [0.288888888889, 0.177777777778, 0.214285714286], [0.311111111111, 0.177777777778, 0.214285714286], [0.333333333333, 0.177777777778, 0.214285714286], [0.355555555556, 0.177777777778, 0.214285714286], [0.377777777778, 0.177777777778, 0.214285714286], [0.4, 0.177777777778, 0.214285714286], [0.2, 0.2, 0.214285714286], [0.222222222222, 0.2, 0.214285714286], [0.244444444444, 0.2, 0.214285714286], [0.266666666667, 0.2, 0.214285714286], [0.288888888889, 0.2, 0.214285714286], [0.311111111111, 0.2, 0.214285714286], [0.333333333333, 0.2, 0.214285714286], [0.355555555556, 0.2, 0.214285714286], [0.377777777778, 0.2, 0.214285714286], [0.4, 0.2, 0.214285714286], [0.222222222222, 0.222222222222, 0.214285714286], [0.244444444444, 0.222222222222, 0.214285714286], [0.266666666667, 0.222222222222, 0.214285714286], [0.288888888889, 0.222222222222, 0.214285714286], [0.311111111111, 0.222222222222, 0.214285714286], [0.333333333333, 0.222222222222, 0.214285714286], [0.355555555556, 0.222222222222, 0.214285714286], [0.377777777778, 0.222222222222, 0.214285714286], [0.244444444444, 0.244444444444, 0.214285714286], [0.266666666667, 0.244444444444, 0.214285714286], [0.288888888889, 0.244444444444, 0.214285714286], [0.311111111111, 0.244444444444, 0.214285714286], [0.333333333333, 0.244444444444, 0.214285714286], [0.355555555556, 0.244444444444, 0.214285714286], [0.377777777778, 0.244444444444, 0.214285714286], [0.266666666667, 0.266666666667, 0.214285714286], [0.288888888889, 0.266666666667, 0.214285714286], [0.311111111111, 0.266666666667, 0.214285714286], [0.333333333333, 0.266666666667, 0.214285714286], [0.355555555556, 0.266666666667, 0.214285714286], [0.288888888889, 0.288888888889, 0.214285714286], [0.311111111111, 0.288888888889, 0.214285714286], [0.333333333333, 0.288888888889, 0.214285714286], [0.355555555556, 0.288888888889, 0.214285714286], [0.311111111111, 0.311111111111, 0.214285714286], [0.333333333333, 0.311111111111, 0.214285714286], [0.333333333333, 0.333333333333, 0.214285714286], [0.0, 0.0, 0.25], [0.0222222222222, 0.0, 0.25], [0.0444444444444, 0.0, 0.25], [0.0666666666667, 0.0, 0.25], [0.0888888888889, 0.0, 0.25], [0.111111111111, 0.0, 0.25], [0.133333333333, 0.0, 0.25], [0.155555555556, 0.0, 0.25], [0.177777777778, 0.0, 0.25], [0.2, 0.0, 0.25], [0.222222222222, 0.0, 0.25], [0.244444444444, 0.0, 0.25], [0.266666666667, 0.0, 0.25], [0.288888888889, 0.0, 0.25], [0.311111111111, 0.0, 0.25], [0.333333333333, 0.0, 0.25], [0.355555555556, 0.0, 0.25], [0.377777777778, 0.0, 0.25], [0.4, 0.0, 0.25], [0.422222222222, 0.0, 0.25], [0.444444444444, 0.0, 0.25], [0.466666666667, 0.0, 0.25], [0.488888888889, 0.0, 0.25], [0.0222222222222, 0.0222222222222, 0.25], [0.0444444444444, 0.0222222222222, 0.25], [0.0666666666667, 0.0222222222222, 0.25], [0.0888888888889, 0.0222222222222, 0.25], [0.111111111111, 0.0222222222222, 0.25], [0.133333333333, 0.0222222222222, 0.25], [0.155555555556, 0.0222222222222, 0.25], [0.177777777778, 0.0222222222222, 0.25], [0.2, 0.0222222222222, 0.25], [0.222222222222, 0.0222222222222, 0.25], [0.244444444444, 0.0222222222222, 0.25], [0.266666666667, 0.0222222222222, 0.25], [0.288888888889, 0.0222222222222, 0.25], [0.311111111111, 0.0222222222222, 0.25], [0.333333333333, 0.0222222222222, 0.25], [0.355555555556, 0.0222222222222, 0.25], [0.377777777778, 0.0222222222222, 0.25], [0.4, 0.0222222222222, 0.25], [0.422222222222, 0.0222222222222, 0.25], [0.444444444444, 0.0222222222222, 0.25], [0.466666666667, 0.0222222222222, 0.25], [0.488888888889, 0.0222222222222, 0.25], [0.0444444444444, 0.0444444444444, 0.25], [0.0666666666667, 0.0444444444444, 0.25], [0.0888888888889, 0.0444444444444, 0.25], [0.111111111111, 0.0444444444444, 0.25], [0.133333333333, 0.0444444444444, 0.25], [0.155555555556, 0.0444444444444, 0.25], [0.177777777778, 0.0444444444444, 0.25], [0.2, 0.0444444444444, 0.25], [0.222222222222, 0.0444444444444, 0.25], [0.244444444444, 0.0444444444444, 0.25], [0.266666666667, 0.0444444444444, 0.25], [0.288888888889, 0.0444444444444, 0.25], [0.311111111111, 0.0444444444444, 0.25], [0.333333333333, 0.0444444444444, 0.25], [0.355555555556, 0.0444444444444, 0.25], [0.377777777778, 0.0444444444444, 0.25], [0.4, 0.0444444444444, 0.25], [0.422222222222, 0.0444444444444, 0.25], [0.444444444444, 0.0444444444444, 0.25], [0.466666666667, 0.0444444444444, 0.25], [0.0666666666667, 0.0666666666667, 0.25], [0.0888888888889, 0.0666666666667, 0.25], [0.111111111111, 0.0666666666667, 0.25], [0.133333333333, 0.0666666666667, 0.25], [0.155555555556, 0.0666666666667, 0.25], [0.177777777778, 0.0666666666667, 0.25], [0.2, 0.0666666666667, 0.25], [0.222222222222, 0.0666666666667, 0.25], [0.244444444444, 0.0666666666667, 0.25], [0.266666666667, 0.0666666666667, 0.25], [0.288888888889, 0.0666666666667, 0.25], [0.311111111111, 0.0666666666667, 0.25], [0.333333333333, 0.0666666666667, 0.25], [0.355555555556, 0.0666666666667, 0.25], [0.377777777778, 0.0666666666667, 0.25], [0.4, 0.0666666666667, 0.25], [0.422222222222, 0.0666666666667, 0.25], [0.444444444444, 0.0666666666667, 0.25], [0.466666666667, 0.0666666666667, 0.25], [0.0888888888889, 0.0888888888889, 0.25], [0.111111111111, 0.0888888888889, 0.25], [0.133333333333, 0.0888888888889, 0.25], [0.155555555556, 0.0888888888889, 0.25], [0.177777777778, 0.0888888888889, 0.25], [0.2, 0.0888888888889, 0.25], [0.222222222222, 0.0888888888889, 0.25], [0.244444444444, 0.0888888888889, 0.25], [0.266666666667, 0.0888888888889, 0.25], [0.288888888889, 0.0888888888889, 0.25], [0.311111111111, 0.0888888888889, 0.25], [0.333333333333, 0.0888888888889, 0.25], [0.355555555556, 0.0888888888889, 0.25], [0.377777777778, 0.0888888888889, 0.25], [0.4, 0.0888888888889, 0.25], [0.422222222222, 0.0888888888889, 0.25], [0.444444444444, 0.0888888888889, 0.25], [0.111111111111, 0.111111111111, 0.25], [0.133333333333, 0.111111111111, 0.25], [0.155555555556, 0.111111111111, 0.25], [0.177777777778, 0.111111111111, 0.25], [0.2, 0.111111111111, 0.25], [0.222222222222, 0.111111111111, 0.25], [0.244444444444, 0.111111111111, 0.25], [0.266666666667, 0.111111111111, 0.25], [0.288888888889, 0.111111111111, 0.25], [0.311111111111, 0.111111111111, 0.25], [0.333333333333, 0.111111111111, 0.25], [0.355555555556, 0.111111111111, 0.25], [0.377777777778, 0.111111111111, 0.25], [0.4, 0.111111111111, 0.25], [0.422222222222, 0.111111111111, 0.25], [0.444444444444, 0.111111111111, 0.25], [0.133333333333, 0.133333333333, 0.25], [0.155555555556, 0.133333333333, 0.25], [0.177777777778, 0.133333333333, 0.25], [0.2, 0.133333333333, 0.25], [0.222222222222, 0.133333333333, 0.25], [0.244444444444, 0.133333333333, 0.25], [0.266666666667, 0.133333333333, 0.25], [0.288888888889, 0.133333333333, 0.25], [0.311111111111, 0.133333333333, 0.25], [0.333333333333, 0.133333333333, 0.25], [0.355555555556, 0.133333333333, 0.25], [0.377777777778, 0.133333333333, 0.25], [0.4, 0.133333333333, 0.25], [0.422222222222, 0.133333333333, 0.25], [0.155555555556, 0.155555555556, 0.25], [0.177777777778, 0.155555555556, 0.25], [0.2, 0.155555555556, 0.25], [0.222222222222, 0.155555555556, 0.25], [0.244444444444, 0.155555555556, 0.25], [0.266666666667, 0.155555555556, 0.25], [0.288888888889, 0.155555555556, 0.25], [0.311111111111, 0.155555555556, 0.25], [0.333333333333, 0.155555555556, 0.25], [0.355555555556, 0.155555555556, 0.25], [0.377777777778, 0.155555555556, 0.25], [0.4, 0.155555555556, 0.25], [0.422222222222, 0.155555555556, 0.25], [0.177777777778, 0.177777777778, 0.25], [0.2, 0.177777777778, 0.25], [0.222222222222, 0.177777777778, 0.25], [0.244444444444, 0.177777777778, 0.25], [0.266666666667, 0.177777777778, 0.25], [0.288888888889, 0.177777777778, 0.25], [0.311111111111, 0.177777777778, 0.25], [0.333333333333, 0.177777777778, 0.25], [0.355555555556, 0.177777777778, 0.25], [0.377777777778, 0.177777777778, 0.25], [0.4, 0.177777777778, 0.25], [0.2, 0.2, 0.25], [0.222222222222, 0.2, 0.25], [0.244444444444, 0.2, 0.25], [0.266666666667, 0.2, 0.25], [0.288888888889, 0.2, 0.25], [0.311111111111, 0.2, 0.25], [0.333333333333, 0.2, 0.25], [0.355555555556, 0.2, 0.25], [0.377777777778, 0.2, 0.25], [0.4, 0.2, 0.25], [0.222222222222, 0.222222222222, 0.25], [0.244444444444, 0.222222222222, 0.25], [0.266666666667, 0.222222222222, 0.25], [0.288888888889, 0.222222222222, 0.25], [0.311111111111, 0.222222222222, 0.25], [0.333333333333, 0.222222222222, 0.25], [0.355555555556, 0.222222222222, 0.25], [0.377777777778, 0.222222222222, 0.25], [0.244444444444, 0.244444444444, 0.25], [0.266666666667, 0.244444444444, 0.25], [0.288888888889, 0.244444444444, 0.25], [0.311111111111, 0.244444444444, 0.25], [0.333333333333, 0.244444444444, 0.25], [0.355555555556, 0.244444444444, 0.25], [0.377777777778, 0.244444444444, 0.25], [0.266666666667, 0.266666666667, 0.25], [0.288888888889, 0.266666666667, 0.25], [0.311111111111, 0.266666666667, 0.25], [0.333333333333, 0.266666666667, 0.25], [0.355555555556, 0.266666666667, 0.25], [0.288888888889, 0.288888888889, 0.25], [0.311111111111, 0.288888888889, 0.25], [0.333333333333, 0.288888888889, 0.25], [0.355555555556, 0.288888888889, 0.25], [0.311111111111, 0.311111111111, 0.25], [0.333333333333, 0.311111111111, 0.25], [0.333333333333, 0.333333333333, 0.25], [0.0, 0.0, 0.285714285714], [0.0222222222222, 0.0, 0.285714285714], [0.0444444444444, 0.0, 0.285714285714], [0.0666666666667, 0.0, 0.285714285714], [0.0888888888889, 0.0, 0.285714285714], [0.111111111111, 0.0, 0.285714285714], [0.133333333333, 0.0, 0.285714285714], [0.155555555556, 0.0, 0.285714285714], [0.177777777778, 0.0, 0.285714285714], [0.2, 0.0, 0.285714285714], [0.222222222222, 0.0, 0.285714285714], [0.244444444444, 0.0, 0.285714285714], [0.266666666667, 0.0, 0.285714285714], [0.288888888889, 0.0, 0.285714285714], [0.311111111111, 0.0, 0.285714285714], [0.333333333333, 0.0, 0.285714285714], [0.355555555556, 0.0, 0.285714285714], [0.377777777778, 0.0, 0.285714285714], [0.4, 0.0, 0.285714285714], [0.422222222222, 0.0, 0.285714285714], [0.444444444444, 0.0, 0.285714285714], [0.466666666667, 0.0, 0.285714285714], [0.488888888889, 0.0, 0.285714285714], [0.0222222222222, 0.0222222222222, 0.285714285714], [0.0444444444444, 0.0222222222222, 0.285714285714], [0.0666666666667, 0.0222222222222, 0.285714285714], [0.0888888888889, 0.0222222222222, 0.285714285714], [0.111111111111, 0.0222222222222, 0.285714285714], [0.133333333333, 0.0222222222222, 0.285714285714], [0.155555555556, 0.0222222222222, 0.285714285714], [0.177777777778, 0.0222222222222, 0.285714285714], [0.2, 0.0222222222222, 0.285714285714], [0.222222222222, 0.0222222222222, 0.285714285714], [0.244444444444, 0.0222222222222, 0.285714285714], [0.266666666667, 0.0222222222222, 0.285714285714], [0.288888888889, 0.0222222222222, 0.285714285714], [0.311111111111, 0.0222222222222, 0.285714285714], [0.333333333333, 0.0222222222222, 0.285714285714], [0.355555555556, 0.0222222222222, 0.285714285714], [0.377777777778, 0.0222222222222, 0.285714285714], [0.4, 0.0222222222222, 0.285714285714], [0.422222222222, 0.0222222222222, 0.285714285714], [0.444444444444, 0.0222222222222, 0.285714285714], [0.466666666667, 0.0222222222222, 0.285714285714], [0.488888888889, 0.0222222222222, 0.285714285714], [0.0444444444444, 0.0444444444444, 0.285714285714], [0.0666666666667, 0.0444444444444, 0.285714285714], [0.0888888888889, 0.0444444444444, 0.285714285714], [0.111111111111, 0.0444444444444, 0.285714285714], [0.133333333333, 0.0444444444444, 0.285714285714], [0.155555555556, 0.0444444444444, 0.285714285714], [0.177777777778, 0.0444444444444, 0.285714285714], [0.2, 0.0444444444444, 0.285714285714], [0.222222222222, 0.0444444444444, 0.285714285714], [0.244444444444, 0.0444444444444, 0.285714285714], [0.266666666667, 0.0444444444444, 0.285714285714], [0.288888888889, 0.0444444444444, 0.285714285714], [0.311111111111, 0.0444444444444, 0.285714285714], [0.333333333333, 0.0444444444444, 0.285714285714], [0.355555555556, 0.0444444444444, 0.285714285714], [0.377777777778, 0.0444444444444, 0.285714285714], [0.4, 0.0444444444444, 0.285714285714], [0.422222222222, 0.0444444444444, 0.285714285714], [0.444444444444, 0.0444444444444, 0.285714285714], [0.466666666667, 0.0444444444444, 0.285714285714], [0.0666666666667, 0.0666666666667, 0.285714285714], [0.0888888888889, 0.0666666666667, 0.285714285714], [0.111111111111, 0.0666666666667, 0.285714285714], [0.133333333333, 0.0666666666667, 0.285714285714], [0.155555555556, 0.0666666666667, 0.285714285714], [0.177777777778, 0.0666666666667, 0.285714285714], [0.2, 0.0666666666667, 0.285714285714], [0.222222222222, 0.0666666666667, 0.285714285714], [0.244444444444, 0.0666666666667, 0.285714285714], [0.266666666667, 0.0666666666667, 0.285714285714], [0.288888888889, 0.0666666666667, 0.285714285714], [0.311111111111, 0.0666666666667, 0.285714285714], [0.333333333333, 0.0666666666667, 0.285714285714], [0.355555555556, 0.0666666666667, 0.285714285714], [0.377777777778, 0.0666666666667, 0.285714285714], [0.4, 0.0666666666667, 0.285714285714], [0.422222222222, 0.0666666666667, 0.285714285714], [0.444444444444, 0.0666666666667, 0.285714285714], [0.466666666667, 0.0666666666667, 0.285714285714], [0.0888888888889, 0.0888888888889, 0.285714285714], [0.111111111111, 0.0888888888889, 0.285714285714], [0.133333333333, 0.0888888888889, 0.285714285714], [0.155555555556, 0.0888888888889, 0.285714285714], [0.177777777778, 0.0888888888889, 0.285714285714], [0.2, 0.0888888888889, 0.285714285714], [0.222222222222, 0.0888888888889, 0.285714285714], [0.244444444444, 0.0888888888889, 0.285714285714], [0.266666666667, 0.0888888888889, 0.285714285714], [0.288888888889, 0.0888888888889, 0.285714285714], [0.311111111111, 0.0888888888889, 0.285714285714], [0.333333333333, 0.0888888888889, 0.285714285714], [0.355555555556, 0.0888888888889, 0.285714285714], [0.377777777778, 0.0888888888889, 0.285714285714], [0.4, 0.0888888888889, 0.285714285714], [0.422222222222, 0.0888888888889, 0.285714285714], [0.444444444444, 0.0888888888889, 0.285714285714], [0.111111111111, 0.111111111111, 0.285714285714], [0.133333333333, 0.111111111111, 0.285714285714], [0.155555555556, 0.111111111111, 0.285714285714], [0.177777777778, 0.111111111111, 0.285714285714], [0.2, 0.111111111111, 0.285714285714], [0.222222222222, 0.111111111111, 0.285714285714], [0.244444444444, 0.111111111111, 0.285714285714], [0.266666666667, 0.111111111111, 0.285714285714], [0.288888888889, 0.111111111111, 0.285714285714], [0.311111111111, 0.111111111111, 0.285714285714], [0.333333333333, 0.111111111111, 0.285714285714], [0.355555555556, 0.111111111111, 0.285714285714], [0.377777777778, 0.111111111111, 0.285714285714], [0.4, 0.111111111111, 0.285714285714], [0.422222222222, 0.111111111111, 0.285714285714], [0.444444444444, 0.111111111111, 0.285714285714], [0.133333333333, 0.133333333333, 0.285714285714], [0.155555555556, 0.133333333333, 0.285714285714], [0.177777777778, 0.133333333333, 0.285714285714], [0.2, 0.133333333333, 0.285714285714], [0.222222222222, 0.133333333333, 0.285714285714], [0.244444444444, 0.133333333333, 0.285714285714], [0.266666666667, 0.133333333333, 0.285714285714], [0.288888888889, 0.133333333333, 0.285714285714], [0.311111111111, 0.133333333333, 0.285714285714], [0.333333333333, 0.133333333333, 0.285714285714], [0.355555555556, 0.133333333333, 0.285714285714], [0.377777777778, 0.133333333333, 0.285714285714], [0.4, 0.133333333333, 0.285714285714], [0.422222222222, 0.133333333333, 0.285714285714], [0.155555555556, 0.155555555556, 0.285714285714], [0.177777777778, 0.155555555556, 0.285714285714], [0.2, 0.155555555556, 0.285714285714], [0.222222222222, 0.155555555556, 0.285714285714], [0.244444444444, 0.155555555556, 0.285714285714], [0.266666666667, 0.155555555556, 0.285714285714], [0.288888888889, 0.155555555556, 0.285714285714], [0.311111111111, 0.155555555556, 0.285714285714], [0.333333333333, 0.155555555556, 0.285714285714], [0.355555555556, 0.155555555556, 0.285714285714], [0.377777777778, 0.155555555556, 0.285714285714], [0.4, 0.155555555556, 0.285714285714], [0.422222222222, 0.155555555556, 0.285714285714], [0.177777777778, 0.177777777778, 0.285714285714], [0.2, 0.177777777778, 0.285714285714], [0.222222222222, 0.177777777778, 0.285714285714], [0.244444444444, 0.177777777778, 0.285714285714], [0.266666666667, 0.177777777778, 0.285714285714], [0.288888888889, 0.177777777778, 0.285714285714], [0.311111111111, 0.177777777778, 0.285714285714], [0.333333333333, 0.177777777778, 0.285714285714], [0.355555555556, 0.177777777778, 0.285714285714], [0.377777777778, 0.177777777778, 0.285714285714], [0.4, 0.177777777778, 0.285714285714], [0.2, 0.2, 0.285714285714], [0.222222222222, 0.2, 0.285714285714], [0.244444444444, 0.2, 0.285714285714], [0.266666666667, 0.2, 0.285714285714], [0.288888888889, 0.2, 0.285714285714], [0.311111111111, 0.2, 0.285714285714], [0.333333333333, 0.2, 0.285714285714], [0.355555555556, 0.2, 0.285714285714], [0.377777777778, 0.2, 0.285714285714], [0.4, 0.2, 0.285714285714], [0.222222222222, 0.222222222222, 0.285714285714], [0.244444444444, 0.222222222222, 0.285714285714], [0.266666666667, 0.222222222222, 0.285714285714], [0.288888888889, 0.222222222222, 0.285714285714], [0.311111111111, 0.222222222222, 0.285714285714], [0.333333333333, 0.222222222222, 0.285714285714], [0.355555555556, 0.222222222222, 0.285714285714], [0.377777777778, 0.222222222222, 0.285714285714], [0.244444444444, 0.244444444444, 0.285714285714], [0.266666666667, 0.244444444444, 0.285714285714], [0.288888888889, 0.244444444444, 0.285714285714], [0.311111111111, 0.244444444444, 0.285714285714], [0.333333333333, 0.244444444444, 0.285714285714], [0.355555555556, 0.244444444444, 0.285714285714], [0.377777777778, 0.244444444444, 0.285714285714], [0.266666666667, 0.266666666667, 0.285714285714], [0.288888888889, 0.266666666667, 0.285714285714], [0.311111111111, 0.266666666667, 0.285714285714], [0.333333333333, 0.266666666667, 0.285714285714], [0.355555555556, 0.266666666667, 0.285714285714], [0.288888888889, 0.288888888889, 0.285714285714], [0.311111111111, 0.288888888889, 0.285714285714], [0.333333333333, 0.288888888889, 0.285714285714], [0.355555555556, 0.288888888889, 0.285714285714], [0.311111111111, 0.311111111111, 0.285714285714], [0.333333333333, 0.311111111111, 0.285714285714], [0.333333333333, 0.333333333333, 0.285714285714], [0.0, 0.0, 0.321428571429], [0.0222222222222, 0.0, 0.321428571429], [0.0444444444444, 0.0, 0.321428571429], [0.0666666666667, 0.0, 0.321428571429], [0.0888888888889, 0.0, 0.321428571429], [0.111111111111, 0.0, 0.321428571429], [0.133333333333, 0.0, 0.321428571429], [0.155555555556, 0.0, 0.321428571429], [0.177777777778, 0.0, 0.321428571429], [0.2, 0.0, 0.321428571429], [0.222222222222, 0.0, 0.321428571429], [0.244444444444, 0.0, 0.321428571429], [0.266666666667, 0.0, 0.321428571429], [0.288888888889, 0.0, 0.321428571429], [0.311111111111, 0.0, 0.321428571429], [0.333333333333, 0.0, 0.321428571429], [0.355555555556, 0.0, 0.321428571429], [0.377777777778, 0.0, 0.321428571429], [0.4, 0.0, 0.321428571429], [0.422222222222, 0.0, 0.321428571429], [0.444444444444, 0.0, 0.321428571429], [0.466666666667, 0.0, 0.321428571429], [0.488888888889, 0.0, 0.321428571429], [0.0222222222222, 0.0222222222222, 0.321428571429], [0.0444444444444, 0.0222222222222, 0.321428571429], [0.0666666666667, 0.0222222222222, 0.321428571429], [0.0888888888889, 0.0222222222222, 0.321428571429], [0.111111111111, 0.0222222222222, 0.321428571429], [0.133333333333, 0.0222222222222, 0.321428571429], [0.155555555556, 0.0222222222222, 0.321428571429], [0.177777777778, 0.0222222222222, 0.321428571429], [0.2, 0.0222222222222, 0.321428571429], [0.222222222222, 0.0222222222222, 0.321428571429], [0.244444444444, 0.0222222222222, 0.321428571429], [0.266666666667, 0.0222222222222, 0.321428571429], [0.288888888889, 0.0222222222222, 0.321428571429], [0.311111111111, 0.0222222222222, 0.321428571429], [0.333333333333, 0.0222222222222, 0.321428571429], [0.355555555556, 0.0222222222222, 0.321428571429], [0.377777777778, 0.0222222222222, 0.321428571429], [0.4, 0.0222222222222, 0.321428571429], [0.422222222222, 0.0222222222222, 0.321428571429], [0.444444444444, 0.0222222222222, 0.321428571429], [0.466666666667, 0.0222222222222, 0.321428571429], [0.488888888889, 0.0222222222222, 0.321428571429], [0.0444444444444, 0.0444444444444, 0.321428571429], [0.0666666666667, 0.0444444444444, 0.321428571429], [0.0888888888889, 0.0444444444444, 0.321428571429], [0.111111111111, 0.0444444444444, 0.321428571429], [0.133333333333, 0.0444444444444, 0.321428571429], [0.155555555556, 0.0444444444444, 0.321428571429], [0.177777777778, 0.0444444444444, 0.321428571429], [0.2, 0.0444444444444, 0.321428571429], [0.222222222222, 0.0444444444444, 0.321428571429], [0.244444444444, 0.0444444444444, 0.321428571429], [0.266666666667, 0.0444444444444, 0.321428571429], [0.288888888889, 0.0444444444444, 0.321428571429], [0.311111111111, 0.0444444444444, 0.321428571429], [0.333333333333, 0.0444444444444, 0.321428571429], [0.355555555556, 0.0444444444444, 0.321428571429], [0.377777777778, 0.0444444444444, 0.321428571429], [0.4, 0.0444444444444, 0.321428571429], [0.422222222222, 0.0444444444444, 0.321428571429], [0.444444444444, 0.0444444444444, 0.321428571429], [0.466666666667, 0.0444444444444, 0.321428571429], [0.0666666666667, 0.0666666666667, 0.321428571429], [0.0888888888889, 0.0666666666667, 0.321428571429], [0.111111111111, 0.0666666666667, 0.321428571429], [0.133333333333, 0.0666666666667, 0.321428571429], [0.155555555556, 0.0666666666667, 0.321428571429], [0.177777777778, 0.0666666666667, 0.321428571429], [0.2, 0.0666666666667, 0.321428571429], [0.222222222222, 0.0666666666667, 0.321428571429], [0.244444444444, 0.0666666666667, 0.321428571429], [0.266666666667, 0.0666666666667, 0.321428571429], [0.288888888889, 0.0666666666667, 0.321428571429], [0.311111111111, 0.0666666666667, 0.321428571429], [0.333333333333, 0.0666666666667, 0.321428571429], [0.355555555556, 0.0666666666667, 0.321428571429], [0.377777777778, 0.0666666666667, 0.321428571429], [0.4, 0.0666666666667, 0.321428571429], [0.422222222222, 0.0666666666667, 0.321428571429], [0.444444444444, 0.0666666666667, 0.321428571429], [0.466666666667, 0.0666666666667, 0.321428571429], [0.0888888888889, 0.0888888888889, 0.321428571429], [0.111111111111, 0.0888888888889, 0.321428571429], [0.133333333333, 0.0888888888889, 0.321428571429], [0.155555555556, 0.0888888888889, 0.321428571429], [0.177777777778, 0.0888888888889, 0.321428571429], [0.2, 0.0888888888889, 0.321428571429], [0.222222222222, 0.0888888888889, 0.321428571429], [0.244444444444, 0.0888888888889, 0.321428571429], [0.266666666667, 0.0888888888889, 0.321428571429], [0.288888888889, 0.0888888888889, 0.321428571429], [0.311111111111, 0.0888888888889, 0.321428571429], [0.333333333333, 0.0888888888889, 0.321428571429], [0.355555555556, 0.0888888888889, 0.321428571429], [0.377777777778, 0.0888888888889, 0.321428571429], [0.4, 0.0888888888889, 0.321428571429], [0.422222222222, 0.0888888888889, 0.321428571429], [0.444444444444, 0.0888888888889, 0.321428571429], [0.111111111111, 0.111111111111, 0.321428571429], [0.133333333333, 0.111111111111, 0.321428571429], [0.155555555556, 0.111111111111, 0.321428571429], [0.177777777778, 0.111111111111, 0.321428571429], [0.2, 0.111111111111, 0.321428571429], [0.222222222222, 0.111111111111, 0.321428571429], [0.244444444444, 0.111111111111, 0.321428571429], [0.266666666667, 0.111111111111, 0.321428571429], [0.288888888889, 0.111111111111, 0.321428571429], [0.311111111111, 0.111111111111, 0.321428571429], [0.333333333333, 0.111111111111, 0.321428571429], [0.355555555556, 0.111111111111, 0.321428571429], [0.377777777778, 0.111111111111, 0.321428571429], [0.4, 0.111111111111, 0.321428571429], [0.422222222222, 0.111111111111, 0.321428571429], [0.444444444444, 0.111111111111, 0.321428571429], [0.133333333333, 0.133333333333, 0.321428571429], [0.155555555556, 0.133333333333, 0.321428571429], [0.177777777778, 0.133333333333, 0.321428571429], [0.2, 0.133333333333, 0.321428571429], [0.222222222222, 0.133333333333, 0.321428571429], [0.244444444444, 0.133333333333, 0.321428571429], [0.266666666667, 0.133333333333, 0.321428571429], [0.288888888889, 0.133333333333, 0.321428571429], [0.311111111111, 0.133333333333, 0.321428571429], [0.333333333333, 0.133333333333, 0.321428571429], [0.355555555556, 0.133333333333, 0.321428571429], [0.377777777778, 0.133333333333, 0.321428571429], [0.4, 0.133333333333, 0.321428571429], [0.422222222222, 0.133333333333, 0.321428571429], [0.155555555556, 0.155555555556, 0.321428571429], [0.177777777778, 0.155555555556, 0.321428571429], [0.2, 0.155555555556, 0.321428571429], [0.222222222222, 0.155555555556, 0.321428571429], [0.244444444444, 0.155555555556, 0.321428571429], [0.266666666667, 0.155555555556, 0.321428571429], [0.288888888889, 0.155555555556, 0.321428571429], [0.311111111111, 0.155555555556, 0.321428571429], [0.333333333333, 0.155555555556, 0.321428571429], [0.355555555556, 0.155555555556, 0.321428571429], [0.377777777778, 0.155555555556, 0.321428571429], [0.4, 0.155555555556, 0.321428571429], [0.422222222222, 0.155555555556, 0.321428571429], [0.177777777778, 0.177777777778, 0.321428571429], [0.2, 0.177777777778, 0.321428571429], [0.222222222222, 0.177777777778, 0.321428571429], [0.244444444444, 0.177777777778, 0.321428571429], [0.266666666667, 0.177777777778, 0.321428571429], [0.288888888889, 0.177777777778, 0.321428571429], [0.311111111111, 0.177777777778, 0.321428571429], [0.333333333333, 0.177777777778, 0.321428571429], [0.355555555556, 0.177777777778, 0.321428571429], [0.377777777778, 0.177777777778, 0.321428571429], [0.4, 0.177777777778, 0.321428571429], [0.2, 0.2, 0.321428571429], [0.222222222222, 0.2, 0.321428571429], [0.244444444444, 0.2, 0.321428571429], [0.266666666667, 0.2, 0.321428571429], [0.288888888889, 0.2, 0.321428571429], [0.311111111111, 0.2, 0.321428571429], [0.333333333333, 0.2, 0.321428571429], [0.355555555556, 0.2, 0.321428571429], [0.377777777778, 0.2, 0.321428571429], [0.4, 0.2, 0.321428571429], [0.222222222222, 0.222222222222, 0.321428571429], [0.244444444444, 0.222222222222, 0.321428571429], [0.266666666667, 0.222222222222, 0.321428571429], [0.288888888889, 0.222222222222, 0.321428571429], [0.311111111111, 0.222222222222, 0.321428571429], [0.333333333333, 0.222222222222, 0.321428571429], [0.355555555556, 0.222222222222, 0.321428571429], [0.377777777778, 0.222222222222, 0.321428571429], [0.244444444444, 0.244444444444, 0.321428571429], [0.266666666667, 0.244444444444, 0.321428571429], [0.288888888889, 0.244444444444, 0.321428571429], [0.311111111111, 0.244444444444, 0.321428571429], [0.333333333333, 0.244444444444, 0.321428571429], [0.355555555556, 0.244444444444, 0.321428571429], [0.377777777778, 0.244444444444, 0.321428571429], [0.266666666667, 0.266666666667, 0.321428571429], [0.288888888889, 0.266666666667, 0.321428571429], [0.311111111111, 0.266666666667, 0.321428571429], [0.333333333333, 0.266666666667, 0.321428571429], [0.355555555556, 0.266666666667, 0.321428571429], [0.288888888889, 0.288888888889, 0.321428571429], [0.311111111111, 0.288888888889, 0.321428571429], [0.333333333333, 0.288888888889, 0.321428571429], [0.355555555556, 0.288888888889, 0.321428571429], [0.311111111111, 0.311111111111, 0.321428571429], [0.333333333333, 0.311111111111, 0.321428571429], [0.333333333333, 0.333333333333, 0.321428571429], [0.0, 0.0, 0.357142857143], [0.0222222222222, 0.0, 0.357142857143], [0.0444444444444, 0.0, 0.357142857143], [0.0666666666667, 0.0, 0.357142857143], [0.0888888888889, 0.0, 0.357142857143], [0.111111111111, 0.0, 0.357142857143], [0.133333333333, 0.0, 0.357142857143], [0.155555555556, 0.0, 0.357142857143], [0.177777777778, 0.0, 0.357142857143], [0.2, 0.0, 0.357142857143], [0.222222222222, 0.0, 0.357142857143], [0.244444444444, 0.0, 0.357142857143], [0.266666666667, 0.0, 0.357142857143], [0.288888888889, 0.0, 0.357142857143], [0.311111111111, 0.0, 0.357142857143], [0.333333333333, 0.0, 0.357142857143], [0.355555555556, 0.0, 0.357142857143], [0.377777777778, 0.0, 0.357142857143], [0.4, 0.0, 0.357142857143], [0.422222222222, 0.0, 0.357142857143], [0.444444444444, 0.0, 0.357142857143], [0.466666666667, 0.0, 0.357142857143], [0.488888888889, 0.0, 0.357142857143], [0.0222222222222, 0.0222222222222, 0.357142857143], [0.0444444444444, 0.0222222222222, 0.357142857143], [0.0666666666667, 0.0222222222222, 0.357142857143], [0.0888888888889, 0.0222222222222, 0.357142857143], [0.111111111111, 0.0222222222222, 0.357142857143], [0.133333333333, 0.0222222222222, 0.357142857143], [0.155555555556, 0.0222222222222, 0.357142857143], [0.177777777778, 0.0222222222222, 0.357142857143], [0.2, 0.0222222222222, 0.357142857143], [0.222222222222, 0.0222222222222, 0.357142857143], [0.244444444444, 0.0222222222222, 0.357142857143], [0.266666666667, 0.0222222222222, 0.357142857143], [0.288888888889, 0.0222222222222, 0.357142857143], [0.311111111111, 0.0222222222222, 0.357142857143], [0.333333333333, 0.0222222222222, 0.357142857143], [0.355555555556, 0.0222222222222, 0.357142857143], [0.377777777778, 0.0222222222222, 0.357142857143], [0.4, 0.0222222222222, 0.357142857143], [0.422222222222, 0.0222222222222, 0.357142857143], [0.444444444444, 0.0222222222222, 0.357142857143], [0.466666666667, 0.0222222222222, 0.357142857143], [0.488888888889, 0.0222222222222, 0.357142857143], [0.0444444444444, 0.0444444444444, 0.357142857143], [0.0666666666667, 0.0444444444444, 0.357142857143], [0.0888888888889, 0.0444444444444, 0.357142857143], [0.111111111111, 0.0444444444444, 0.357142857143], [0.133333333333, 0.0444444444444, 0.357142857143], [0.155555555556, 0.0444444444444, 0.357142857143], [0.177777777778, 0.0444444444444, 0.357142857143], [0.2, 0.0444444444444, 0.357142857143], [0.222222222222, 0.0444444444444, 0.357142857143], [0.244444444444, 0.0444444444444, 0.357142857143], [0.266666666667, 0.0444444444444, 0.357142857143], [0.288888888889, 0.0444444444444, 0.357142857143], [0.311111111111, 0.0444444444444, 0.357142857143], [0.333333333333, 0.0444444444444, 0.357142857143], [0.355555555556, 0.0444444444444, 0.357142857143], [0.377777777778, 0.0444444444444, 0.357142857143], [0.4, 0.0444444444444, 0.357142857143], [0.422222222222, 0.0444444444444, 0.357142857143], [0.444444444444, 0.0444444444444, 0.357142857143], [0.466666666667, 0.0444444444444, 0.357142857143], [0.0666666666667, 0.0666666666667, 0.357142857143], [0.0888888888889, 0.0666666666667, 0.357142857143], [0.111111111111, 0.0666666666667, 0.357142857143], [0.133333333333, 0.0666666666667, 0.357142857143], [0.155555555556, 0.0666666666667, 0.357142857143], [0.177777777778, 0.0666666666667, 0.357142857143], [0.2, 0.0666666666667, 0.357142857143], [0.222222222222, 0.0666666666667, 0.357142857143], [0.244444444444, 0.0666666666667, 0.357142857143], [0.266666666667, 0.0666666666667, 0.357142857143], [0.288888888889, 0.0666666666667, 0.357142857143], [0.311111111111, 0.0666666666667, 0.357142857143], [0.333333333333, 0.0666666666667, 0.357142857143], [0.355555555556, 0.0666666666667, 0.357142857143], [0.377777777778, 0.0666666666667, 0.357142857143], [0.4, 0.0666666666667, 0.357142857143], [0.422222222222, 0.0666666666667, 0.357142857143], [0.444444444444, 0.0666666666667, 0.357142857143], [0.466666666667, 0.0666666666667, 0.357142857143], [0.0888888888889, 0.0888888888889, 0.357142857143], [0.111111111111, 0.0888888888889, 0.357142857143], [0.133333333333, 0.0888888888889, 0.357142857143], [0.155555555556, 0.0888888888889, 0.357142857143], [0.177777777778, 0.0888888888889, 0.357142857143], [0.2, 0.0888888888889, 0.357142857143], [0.222222222222, 0.0888888888889, 0.357142857143], [0.244444444444, 0.0888888888889, 0.357142857143], [0.266666666667, 0.0888888888889, 0.357142857143], [0.288888888889, 0.0888888888889, 0.357142857143], [0.311111111111, 0.0888888888889, 0.357142857143], [0.333333333333, 0.0888888888889, 0.357142857143], [0.355555555556, 0.0888888888889, 0.357142857143], [0.377777777778, 0.0888888888889, 0.357142857143], [0.4, 0.0888888888889, 0.357142857143], [0.422222222222, 0.0888888888889, 0.357142857143], [0.444444444444, 0.0888888888889, 0.357142857143], [0.111111111111, 0.111111111111, 0.357142857143], [0.133333333333, 0.111111111111, 0.357142857143], [0.155555555556, 0.111111111111, 0.357142857143], [0.177777777778, 0.111111111111, 0.357142857143], [0.2, 0.111111111111, 0.357142857143], [0.222222222222, 0.111111111111, 0.357142857143], [0.244444444444, 0.111111111111, 0.357142857143], [0.266666666667, 0.111111111111, 0.357142857143], [0.288888888889, 0.111111111111, 0.357142857143], [0.311111111111, 0.111111111111, 0.357142857143], [0.333333333333, 0.111111111111, 0.357142857143], [0.355555555556, 0.111111111111, 0.357142857143], [0.377777777778, 0.111111111111, 0.357142857143], [0.4, 0.111111111111, 0.357142857143], [0.422222222222, 0.111111111111, 0.357142857143], [0.444444444444, 0.111111111111, 0.357142857143], [0.133333333333, 0.133333333333, 0.357142857143], [0.155555555556, 0.133333333333, 0.357142857143], [0.177777777778, 0.133333333333, 0.357142857143], [0.2, 0.133333333333, 0.357142857143], [0.222222222222, 0.133333333333, 0.357142857143], [0.244444444444, 0.133333333333, 0.357142857143], [0.266666666667, 0.133333333333, 0.357142857143], [0.288888888889, 0.133333333333, 0.357142857143], [0.311111111111, 0.133333333333, 0.357142857143], [0.333333333333, 0.133333333333, 0.357142857143], [0.355555555556, 0.133333333333, 0.357142857143], [0.377777777778, 0.133333333333, 0.357142857143], [0.4, 0.133333333333, 0.357142857143], [0.422222222222, 0.133333333333, 0.357142857143], [0.155555555556, 0.155555555556, 0.357142857143], [0.177777777778, 0.155555555556, 0.357142857143], [0.2, 0.155555555556, 0.357142857143], [0.222222222222, 0.155555555556, 0.357142857143], [0.244444444444, 0.155555555556, 0.357142857143], [0.266666666667, 0.155555555556, 0.357142857143], [0.288888888889, 0.155555555556, 0.357142857143], [0.311111111111, 0.155555555556, 0.357142857143], [0.333333333333, 0.155555555556, 0.357142857143], [0.355555555556, 0.155555555556, 0.357142857143], [0.377777777778, 0.155555555556, 0.357142857143], [0.4, 0.155555555556, 0.357142857143], [0.422222222222, 0.155555555556, 0.357142857143], [0.177777777778, 0.177777777778, 0.357142857143], [0.2, 0.177777777778, 0.357142857143], [0.222222222222, 0.177777777778, 0.357142857143], [0.244444444444, 0.177777777778, 0.357142857143], [0.266666666667, 0.177777777778, 0.357142857143], [0.288888888889, 0.177777777778, 0.357142857143], [0.311111111111, 0.177777777778, 0.357142857143], [0.333333333333, 0.177777777778, 0.357142857143], [0.355555555556, 0.177777777778, 0.357142857143], [0.377777777778, 0.177777777778, 0.357142857143], [0.4, 0.177777777778, 0.357142857143], [0.2, 0.2, 0.357142857143], [0.222222222222, 0.2, 0.357142857143], [0.244444444444, 0.2, 0.357142857143], [0.266666666667, 0.2, 0.357142857143], [0.288888888889, 0.2, 0.357142857143], [0.311111111111, 0.2, 0.357142857143], [0.333333333333, 0.2, 0.357142857143], [0.355555555556, 0.2, 0.357142857143], [0.377777777778, 0.2, 0.357142857143], [0.4, 0.2, 0.357142857143], [0.222222222222, 0.222222222222, 0.357142857143], [0.244444444444, 0.222222222222, 0.357142857143], [0.266666666667, 0.222222222222, 0.357142857143], [0.288888888889, 0.222222222222, 0.357142857143], [0.311111111111, 0.222222222222, 0.357142857143], [0.333333333333, 0.222222222222, 0.357142857143], [0.355555555556, 0.222222222222, 0.357142857143], [0.377777777778, 0.222222222222, 0.357142857143], [0.244444444444, 0.244444444444, 0.357142857143], [0.266666666667, 0.244444444444, 0.357142857143], [0.288888888889, 0.244444444444, 0.357142857143], [0.311111111111, 0.244444444444, 0.357142857143], [0.333333333333, 0.244444444444, 0.357142857143], [0.355555555556, 0.244444444444, 0.357142857143], [0.377777777778, 0.244444444444, 0.357142857143], [0.266666666667, 0.266666666667, 0.357142857143], [0.288888888889, 0.266666666667, 0.357142857143], [0.311111111111, 0.266666666667, 0.357142857143], [0.333333333333, 0.266666666667, 0.357142857143], [0.355555555556, 0.266666666667, 0.357142857143], [0.288888888889, 0.288888888889, 0.357142857143], [0.311111111111, 0.288888888889, 0.357142857143], [0.333333333333, 0.288888888889, 0.357142857143], [0.355555555556, 0.288888888889, 0.357142857143], [0.311111111111, 0.311111111111, 0.357142857143], [0.333333333333, 0.311111111111, 0.357142857143], [0.333333333333, 0.333333333333, 0.357142857143], [0.0, 0.0, 0.392857142857], [0.0222222222222, 0.0, 0.392857142857], [0.0444444444444, 0.0, 0.392857142857], [0.0666666666667, 0.0, 0.392857142857], [0.0888888888889, 0.0, 0.392857142857], [0.111111111111, 0.0, 0.392857142857], [0.133333333333, 0.0, 0.392857142857], [0.155555555556, 0.0, 0.392857142857], [0.177777777778, 0.0, 0.392857142857], [0.2, 0.0, 0.392857142857], [0.222222222222, 0.0, 0.392857142857], [0.244444444444, 0.0, 0.392857142857], [0.266666666667, 0.0, 0.392857142857], [0.288888888889, 0.0, 0.392857142857], [0.311111111111, 0.0, 0.392857142857], [0.333333333333, 0.0, 0.392857142857], [0.355555555556, 0.0, 0.392857142857], [0.377777777778, 0.0, 0.392857142857], [0.4, 0.0, 0.392857142857], [0.422222222222, 0.0, 0.392857142857], [0.444444444444, 0.0, 0.392857142857], [0.466666666667, 0.0, 0.392857142857], [0.488888888889, 0.0, 0.392857142857], [0.0222222222222, 0.0222222222222, 0.392857142857], [0.0444444444444, 0.0222222222222, 0.392857142857], [0.0666666666667, 0.0222222222222, 0.392857142857], [0.0888888888889, 0.0222222222222, 0.392857142857], [0.111111111111, 0.0222222222222, 0.392857142857], [0.133333333333, 0.0222222222222, 0.392857142857], [0.155555555556, 0.0222222222222, 0.392857142857], [0.177777777778, 0.0222222222222, 0.392857142857], [0.2, 0.0222222222222, 0.392857142857], [0.222222222222, 0.0222222222222, 0.392857142857], [0.244444444444, 0.0222222222222, 0.392857142857], [0.266666666667, 0.0222222222222, 0.392857142857], [0.288888888889, 0.0222222222222, 0.392857142857], [0.311111111111, 0.0222222222222, 0.392857142857], [0.333333333333, 0.0222222222222, 0.392857142857], [0.355555555556, 0.0222222222222, 0.392857142857], [0.377777777778, 0.0222222222222, 0.392857142857], [0.4, 0.0222222222222, 0.392857142857], [0.422222222222, 0.0222222222222, 0.392857142857], [0.444444444444, 0.0222222222222, 0.392857142857], [0.466666666667, 0.0222222222222, 0.392857142857], [0.488888888889, 0.0222222222222, 0.392857142857], [0.0444444444444, 0.0444444444444, 0.392857142857], [0.0666666666667, 0.0444444444444, 0.392857142857], [0.0888888888889, 0.0444444444444, 0.392857142857], [0.111111111111, 0.0444444444444, 0.392857142857], [0.133333333333, 0.0444444444444, 0.392857142857], [0.155555555556, 0.0444444444444, 0.392857142857], [0.177777777778, 0.0444444444444, 0.392857142857], [0.2, 0.0444444444444, 0.392857142857], [0.222222222222, 0.0444444444444, 0.392857142857], [0.244444444444, 0.0444444444444, 0.392857142857], [0.266666666667, 0.0444444444444, 0.392857142857], [0.288888888889, 0.0444444444444, 0.392857142857], [0.311111111111, 0.0444444444444, 0.392857142857], [0.333333333333, 0.0444444444444, 0.392857142857], [0.355555555556, 0.0444444444444, 0.392857142857], [0.377777777778, 0.0444444444444, 0.392857142857], [0.4, 0.0444444444444, 0.392857142857], [0.422222222222, 0.0444444444444, 0.392857142857], [0.444444444444, 0.0444444444444, 0.392857142857], [0.466666666667, 0.0444444444444, 0.392857142857], [0.0666666666667, 0.0666666666667, 0.392857142857], [0.0888888888889, 0.0666666666667, 0.392857142857], [0.111111111111, 0.0666666666667, 0.392857142857], [0.133333333333, 0.0666666666667, 0.392857142857], [0.155555555556, 0.0666666666667, 0.392857142857], [0.177777777778, 0.0666666666667, 0.392857142857], [0.2, 0.0666666666667, 0.392857142857], [0.222222222222, 0.0666666666667, 0.392857142857], [0.244444444444, 0.0666666666667, 0.392857142857], [0.266666666667, 0.0666666666667, 0.392857142857], [0.288888888889, 0.0666666666667, 0.392857142857], [0.311111111111, 0.0666666666667, 0.392857142857], [0.333333333333, 0.0666666666667, 0.392857142857], [0.355555555556, 0.0666666666667, 0.392857142857], [0.377777777778, 0.0666666666667, 0.392857142857], [0.4, 0.0666666666667, 0.392857142857], [0.422222222222, 0.0666666666667, 0.392857142857], [0.444444444444, 0.0666666666667, 0.392857142857], [0.466666666667, 0.0666666666667, 0.392857142857], [0.0888888888889, 0.0888888888889, 0.392857142857], [0.111111111111, 0.0888888888889, 0.392857142857], [0.133333333333, 0.0888888888889, 0.392857142857], [0.155555555556, 0.0888888888889, 0.392857142857], [0.177777777778, 0.0888888888889, 0.392857142857], [0.2, 0.0888888888889, 0.392857142857], [0.222222222222, 0.0888888888889, 0.392857142857], [0.244444444444, 0.0888888888889, 0.392857142857], [0.266666666667, 0.0888888888889, 0.392857142857], [0.288888888889, 0.0888888888889, 0.392857142857], [0.311111111111, 0.0888888888889, 0.392857142857], [0.333333333333, 0.0888888888889, 0.392857142857], [0.355555555556, 0.0888888888889, 0.392857142857], [0.377777777778, 0.0888888888889, 0.392857142857], [0.4, 0.0888888888889, 0.392857142857], [0.422222222222, 0.0888888888889, 0.392857142857], [0.444444444444, 0.0888888888889, 0.392857142857], [0.111111111111, 0.111111111111, 0.392857142857], [0.133333333333, 0.111111111111, 0.392857142857], [0.155555555556, 0.111111111111, 0.392857142857], [0.177777777778, 0.111111111111, 0.392857142857], [0.2, 0.111111111111, 0.392857142857], [0.222222222222, 0.111111111111, 0.392857142857], [0.244444444444, 0.111111111111, 0.392857142857], [0.266666666667, 0.111111111111, 0.392857142857], [0.288888888889, 0.111111111111, 0.392857142857], [0.311111111111, 0.111111111111, 0.392857142857], [0.333333333333, 0.111111111111, 0.392857142857], [0.355555555556, 0.111111111111, 0.392857142857], [0.377777777778, 0.111111111111, 0.392857142857], [0.4, 0.111111111111, 0.392857142857], [0.422222222222, 0.111111111111, 0.392857142857], [0.444444444444, 0.111111111111, 0.392857142857], [0.133333333333, 0.133333333333, 0.392857142857], [0.155555555556, 0.133333333333, 0.392857142857], [0.177777777778, 0.133333333333, 0.392857142857], [0.2, 0.133333333333, 0.392857142857], [0.222222222222, 0.133333333333, 0.392857142857], [0.244444444444, 0.133333333333, 0.392857142857], [0.266666666667, 0.133333333333, 0.392857142857], [0.288888888889, 0.133333333333, 0.392857142857], [0.311111111111, 0.133333333333, 0.392857142857], [0.333333333333, 0.133333333333, 0.392857142857], [0.355555555556, 0.133333333333, 0.392857142857], [0.377777777778, 0.133333333333, 0.392857142857], [0.4, 0.133333333333, 0.392857142857], [0.422222222222, 0.133333333333, 0.392857142857], [0.155555555556, 0.155555555556, 0.392857142857], [0.177777777778, 0.155555555556, 0.392857142857], [0.2, 0.155555555556, 0.392857142857], [0.222222222222, 0.155555555556, 0.392857142857], [0.244444444444, 0.155555555556, 0.392857142857], [0.266666666667, 0.155555555556, 0.392857142857], [0.288888888889, 0.155555555556, 0.392857142857], [0.311111111111, 0.155555555556, 0.392857142857], [0.333333333333, 0.155555555556, 0.392857142857], [0.355555555556, 0.155555555556, 0.392857142857], [0.377777777778, 0.155555555556, 0.392857142857], [0.4, 0.155555555556, 0.392857142857], [0.422222222222, 0.155555555556, 0.392857142857], [0.177777777778, 0.177777777778, 0.392857142857], [0.2, 0.177777777778, 0.392857142857], [0.222222222222, 0.177777777778, 0.392857142857], [0.244444444444, 0.177777777778, 0.392857142857], [0.266666666667, 0.177777777778, 0.392857142857], [0.288888888889, 0.177777777778, 0.392857142857], [0.311111111111, 0.177777777778, 0.392857142857], [0.333333333333, 0.177777777778, 0.392857142857], [0.355555555556, 0.177777777778, 0.392857142857], [0.377777777778, 0.177777777778, 0.392857142857], [0.4, 0.177777777778, 0.392857142857], [0.2, 0.2, 0.392857142857], [0.222222222222, 0.2, 0.392857142857], [0.244444444444, 0.2, 0.392857142857], [0.266666666667, 0.2, 0.392857142857], [0.288888888889, 0.2, 0.392857142857], [0.311111111111, 0.2, 0.392857142857], [0.333333333333, 0.2, 0.392857142857], [0.355555555556, 0.2, 0.392857142857], [0.377777777778, 0.2, 0.392857142857], [0.4, 0.2, 0.392857142857], [0.222222222222, 0.222222222222, 0.392857142857], [0.244444444444, 0.222222222222, 0.392857142857], [0.266666666667, 0.222222222222, 0.392857142857], [0.288888888889, 0.222222222222, 0.392857142857], [0.311111111111, 0.222222222222, 0.392857142857], [0.333333333333, 0.222222222222, 0.392857142857], [0.355555555556, 0.222222222222, 0.392857142857], [0.377777777778, 0.222222222222, 0.392857142857], [0.244444444444, 0.244444444444, 0.392857142857], [0.266666666667, 0.244444444444, 0.392857142857], [0.288888888889, 0.244444444444, 0.392857142857], [0.311111111111, 0.244444444444, 0.392857142857], [0.333333333333, 0.244444444444, 0.392857142857], [0.355555555556, 0.244444444444, 0.392857142857], [0.377777777778, 0.244444444444, 0.392857142857], [0.266666666667, 0.266666666667, 0.392857142857], [0.288888888889, 0.266666666667, 0.392857142857], [0.311111111111, 0.266666666667, 0.392857142857], [0.333333333333, 0.266666666667, 0.392857142857], [0.355555555556, 0.266666666667, 0.392857142857], [0.288888888889, 0.288888888889, 0.392857142857], [0.311111111111, 0.288888888889, 0.392857142857], [0.333333333333, 0.288888888889, 0.392857142857], [0.355555555556, 0.288888888889, 0.392857142857], [0.311111111111, 0.311111111111, 0.392857142857], [0.333333333333, 0.311111111111, 0.392857142857], [0.333333333333, 0.333333333333, 0.392857142857], [0.0, 0.0, 0.428571428571], [0.0222222222222, 0.0, 0.428571428571], [0.0444444444444, 0.0, 0.428571428571], [0.0666666666667, 0.0, 0.428571428571], [0.0888888888889, 0.0, 0.428571428571], [0.111111111111, 0.0, 0.428571428571], [0.133333333333, 0.0, 0.428571428571], [0.155555555556, 0.0, 0.428571428571], [0.177777777778, 0.0, 0.428571428571], [0.2, 0.0, 0.428571428571], [0.222222222222, 0.0, 0.428571428571], [0.244444444444, 0.0, 0.428571428571], [0.266666666667, 0.0, 0.428571428571], [0.288888888889, 0.0, 0.428571428571], [0.311111111111, 0.0, 0.428571428571], [0.333333333333, 0.0, 0.428571428571], [0.355555555556, 0.0, 0.428571428571], [0.377777777778, 0.0, 0.428571428571], [0.4, 0.0, 0.428571428571], [0.422222222222, 0.0, 0.428571428571], [0.444444444444, 0.0, 0.428571428571], [0.466666666667, 0.0, 0.428571428571], [0.488888888889, 0.0, 0.428571428571], [0.0222222222222, 0.0222222222222, 0.428571428571], [0.0444444444444, 0.0222222222222, 0.428571428571], [0.0666666666667, 0.0222222222222, 0.428571428571], [0.0888888888889, 0.0222222222222, 0.428571428571], [0.111111111111, 0.0222222222222, 0.428571428571], [0.133333333333, 0.0222222222222, 0.428571428571], [0.155555555556, 0.0222222222222, 0.428571428571], [0.177777777778, 0.0222222222222, 0.428571428571], [0.2, 0.0222222222222, 0.428571428571], [0.222222222222, 0.0222222222222, 0.428571428571], [0.244444444444, 0.0222222222222, 0.428571428571], [0.266666666667, 0.0222222222222, 0.428571428571], [0.288888888889, 0.0222222222222, 0.428571428571], [0.311111111111, 0.0222222222222, 0.428571428571], [0.333333333333, 0.0222222222222, 0.428571428571], [0.355555555556, 0.0222222222222, 0.428571428571], [0.377777777778, 0.0222222222222, 0.428571428571], [0.4, 0.0222222222222, 0.428571428571], [0.422222222222, 0.0222222222222, 0.428571428571], [0.444444444444, 0.0222222222222, 0.428571428571], [0.466666666667, 0.0222222222222, 0.428571428571], [0.488888888889, 0.0222222222222, 0.428571428571], [0.0444444444444, 0.0444444444444, 0.428571428571], [0.0666666666667, 0.0444444444444, 0.428571428571], [0.0888888888889, 0.0444444444444, 0.428571428571], [0.111111111111, 0.0444444444444, 0.428571428571], [0.133333333333, 0.0444444444444, 0.428571428571], [0.155555555556, 0.0444444444444, 0.428571428571], [0.177777777778, 0.0444444444444, 0.428571428571], [0.2, 0.0444444444444, 0.428571428571], [0.222222222222, 0.0444444444444, 0.428571428571], [0.244444444444, 0.0444444444444, 0.428571428571], [0.266666666667, 0.0444444444444, 0.428571428571], [0.288888888889, 0.0444444444444, 0.428571428571], [0.311111111111, 0.0444444444444, 0.428571428571], [0.333333333333, 0.0444444444444, 0.428571428571], [0.355555555556, 0.0444444444444, 0.428571428571], [0.377777777778, 0.0444444444444, 0.428571428571], [0.4, 0.0444444444444, 0.428571428571], [0.422222222222, 0.0444444444444, 0.428571428571], [0.444444444444, 0.0444444444444, 0.428571428571], [0.466666666667, 0.0444444444444, 0.428571428571], [0.0666666666667, 0.0666666666667, 0.428571428571], [0.0888888888889, 0.0666666666667, 0.428571428571], [0.111111111111, 0.0666666666667, 0.428571428571], [0.133333333333, 0.0666666666667, 0.428571428571], [0.155555555556, 0.0666666666667, 0.428571428571], [0.177777777778, 0.0666666666667, 0.428571428571], [0.2, 0.0666666666667, 0.428571428571], [0.222222222222, 0.0666666666667, 0.428571428571], [0.244444444444, 0.0666666666667, 0.428571428571], [0.266666666667, 0.0666666666667, 0.428571428571], [0.288888888889, 0.0666666666667, 0.428571428571], [0.311111111111, 0.0666666666667, 0.428571428571], [0.333333333333, 0.0666666666667, 0.428571428571], [0.355555555556, 0.0666666666667, 0.428571428571], [0.377777777778, 0.0666666666667, 0.428571428571], [0.4, 0.0666666666667, 0.428571428571], [0.422222222222, 0.0666666666667, 0.428571428571], [0.444444444444, 0.0666666666667, 0.428571428571], [0.466666666667, 0.0666666666667, 0.428571428571], [0.0888888888889, 0.0888888888889, 0.428571428571], [0.111111111111, 0.0888888888889, 0.428571428571], [0.133333333333, 0.0888888888889, 0.428571428571], [0.155555555556, 0.0888888888889, 0.428571428571], [0.177777777778, 0.0888888888889, 0.428571428571], [0.2, 0.0888888888889, 0.428571428571], [0.222222222222, 0.0888888888889, 0.428571428571], [0.244444444444, 0.0888888888889, 0.428571428571], [0.266666666667, 0.0888888888889, 0.428571428571], [0.288888888889, 0.0888888888889, 0.428571428571], [0.311111111111, 0.0888888888889, 0.428571428571], [0.333333333333, 0.0888888888889, 0.428571428571], [0.355555555556, 0.0888888888889, 0.428571428571], [0.377777777778, 0.0888888888889, 0.428571428571], [0.4, 0.0888888888889, 0.428571428571], [0.422222222222, 0.0888888888889, 0.428571428571], [0.444444444444, 0.0888888888889, 0.428571428571], [0.111111111111, 0.111111111111, 0.428571428571], [0.133333333333, 0.111111111111, 0.428571428571], [0.155555555556, 0.111111111111, 0.428571428571], [0.177777777778, 0.111111111111, 0.428571428571], [0.2, 0.111111111111, 0.428571428571], [0.222222222222, 0.111111111111, 0.428571428571], [0.244444444444, 0.111111111111, 0.428571428571], [0.266666666667, 0.111111111111, 0.428571428571], [0.288888888889, 0.111111111111, 0.428571428571], [0.311111111111, 0.111111111111, 0.428571428571], [0.333333333333, 0.111111111111, 0.428571428571], [0.355555555556, 0.111111111111, 0.428571428571], [0.377777777778, 0.111111111111, 0.428571428571], [0.4, 0.111111111111, 0.428571428571], [0.422222222222, 0.111111111111, 0.428571428571], [0.444444444444, 0.111111111111, 0.428571428571], [0.133333333333, 0.133333333333, 0.428571428571], [0.155555555556, 0.133333333333, 0.428571428571], [0.177777777778, 0.133333333333, 0.428571428571], [0.2, 0.133333333333, 0.428571428571], [0.222222222222, 0.133333333333, 0.428571428571], [0.244444444444, 0.133333333333, 0.428571428571], [0.266666666667, 0.133333333333, 0.428571428571], [0.288888888889, 0.133333333333, 0.428571428571], [0.311111111111, 0.133333333333, 0.428571428571], [0.333333333333, 0.133333333333, 0.428571428571], [0.355555555556, 0.133333333333, 0.428571428571], [0.377777777778, 0.133333333333, 0.428571428571], [0.4, 0.133333333333, 0.428571428571], [0.422222222222, 0.133333333333, 0.428571428571], [0.155555555556, 0.155555555556, 0.428571428571], [0.177777777778, 0.155555555556, 0.428571428571], [0.2, 0.155555555556, 0.428571428571], [0.222222222222, 0.155555555556, 0.428571428571], [0.244444444444, 0.155555555556, 0.428571428571], [0.266666666667, 0.155555555556, 0.428571428571], [0.288888888889, 0.155555555556, 0.428571428571], [0.311111111111, 0.155555555556, 0.428571428571], [0.333333333333, 0.155555555556, 0.428571428571], [0.355555555556, 0.155555555556, 0.428571428571], [0.377777777778, 0.155555555556, 0.428571428571], [0.4, 0.155555555556, 0.428571428571], [0.422222222222, 0.155555555556, 0.428571428571], [0.177777777778, 0.177777777778, 0.428571428571], [0.2, 0.177777777778, 0.428571428571], [0.222222222222, 0.177777777778, 0.428571428571], [0.244444444444, 0.177777777778, 0.428571428571], [0.266666666667, 0.177777777778, 0.428571428571], [0.288888888889, 0.177777777778, 0.428571428571], [0.311111111111, 0.177777777778, 0.428571428571], [0.333333333333, 0.177777777778, 0.428571428571], [0.355555555556, 0.177777777778, 0.428571428571], [0.377777777778, 0.177777777778, 0.428571428571], [0.4, 0.177777777778, 0.428571428571], [0.2, 0.2, 0.428571428571], [0.222222222222, 0.2, 0.428571428571], [0.244444444444, 0.2, 0.428571428571], [0.266666666667, 0.2, 0.428571428571], [0.288888888889, 0.2, 0.428571428571], [0.311111111111, 0.2, 0.428571428571], [0.333333333333, 0.2, 0.428571428571], [0.355555555556, 0.2, 0.428571428571], [0.377777777778, 0.2, 0.428571428571], [0.4, 0.2, 0.428571428571], [0.222222222222, 0.222222222222, 0.428571428571], [0.244444444444, 0.222222222222, 0.428571428571], [0.266666666667, 0.222222222222, 0.428571428571], [0.288888888889, 0.222222222222, 0.428571428571], [0.311111111111, 0.222222222222, 0.428571428571], [0.333333333333, 0.222222222222, 0.428571428571], [0.355555555556, 0.222222222222, 0.428571428571], [0.377777777778, 0.222222222222, 0.428571428571], [0.244444444444, 0.244444444444, 0.428571428571], [0.266666666667, 0.244444444444, 0.428571428571], [0.288888888889, 0.244444444444, 0.428571428571], [0.311111111111, 0.244444444444, 0.428571428571], [0.333333333333, 0.244444444444, 0.428571428571], [0.355555555556, 0.244444444444, 0.428571428571], [0.377777777778, 0.244444444444, 0.428571428571], [0.266666666667, 0.266666666667, 0.428571428571], [0.288888888889, 0.266666666667, 0.428571428571], [0.311111111111, 0.266666666667, 0.428571428571], [0.333333333333, 0.266666666667, 0.428571428571], [0.355555555556, 0.266666666667, 0.428571428571], [0.288888888889, 0.288888888889, 0.428571428571], [0.311111111111, 0.288888888889, 0.428571428571], [0.333333333333, 0.288888888889, 0.428571428571], [0.355555555556, 0.288888888889, 0.428571428571], [0.311111111111, 0.311111111111, 0.428571428571], [0.333333333333, 0.311111111111, 0.428571428571], [0.333333333333, 0.333333333333, 0.428571428571], [0.0, 0.0, 0.464285714286], [0.0222222222222, 0.0, 0.464285714286], [0.0444444444444, 0.0, 0.464285714286], [0.0666666666667, 0.0, 0.464285714286], [0.0888888888889, 0.0, 0.464285714286], [0.111111111111, 0.0, 0.464285714286], [0.133333333333, 0.0, 0.464285714286], [0.155555555556, 0.0, 0.464285714286], [0.177777777778, 0.0, 0.464285714286], [0.2, 0.0, 0.464285714286], [0.222222222222, 0.0, 0.464285714286], [0.244444444444, 0.0, 0.464285714286], [0.266666666667, 0.0, 0.464285714286], [0.288888888889, 0.0, 0.464285714286], [0.311111111111, 0.0, 0.464285714286], [0.333333333333, 0.0, 0.464285714286], [0.355555555556, 0.0, 0.464285714286], [0.377777777778, 0.0, 0.464285714286], [0.4, 0.0, 0.464285714286], [0.422222222222, 0.0, 0.464285714286], [0.444444444444, 0.0, 0.464285714286], [0.466666666667, 0.0, 0.464285714286], [0.488888888889, 0.0, 0.464285714286], [0.0222222222222, 0.0222222222222, 0.464285714286], [0.0444444444444, 0.0222222222222, 0.464285714286], [0.0666666666667, 0.0222222222222, 0.464285714286], [0.0888888888889, 0.0222222222222, 0.464285714286], [0.111111111111, 0.0222222222222, 0.464285714286], [0.133333333333, 0.0222222222222, 0.464285714286], [0.155555555556, 0.0222222222222, 0.464285714286], [0.177777777778, 0.0222222222222, 0.464285714286], [0.2, 0.0222222222222, 0.464285714286], [0.222222222222, 0.0222222222222, 0.464285714286], [0.244444444444, 0.0222222222222, 0.464285714286], [0.266666666667, 0.0222222222222, 0.464285714286], [0.288888888889, 0.0222222222222, 0.464285714286], [0.311111111111, 0.0222222222222, 0.464285714286], [0.333333333333, 0.0222222222222, 0.464285714286], [0.355555555556, 0.0222222222222, 0.464285714286], [0.377777777778, 0.0222222222222, 0.464285714286], [0.4, 0.0222222222222, 0.464285714286], [0.422222222222, 0.0222222222222, 0.464285714286], [0.444444444444, 0.0222222222222, 0.464285714286], [0.466666666667, 0.0222222222222, 0.464285714286], [0.488888888889, 0.0222222222222, 0.464285714286], [0.0444444444444, 0.0444444444444, 0.464285714286], [0.0666666666667, 0.0444444444444, 0.464285714286], [0.0888888888889, 0.0444444444444, 0.464285714286], [0.111111111111, 0.0444444444444, 0.464285714286], [0.133333333333, 0.0444444444444, 0.464285714286], [0.155555555556, 0.0444444444444, 0.464285714286], [0.177777777778, 0.0444444444444, 0.464285714286], [0.2, 0.0444444444444, 0.464285714286], [0.222222222222, 0.0444444444444, 0.464285714286], [0.244444444444, 0.0444444444444, 0.464285714286], [0.266666666667, 0.0444444444444, 0.464285714286], [0.288888888889, 0.0444444444444, 0.464285714286], [0.311111111111, 0.0444444444444, 0.464285714286], [0.333333333333, 0.0444444444444, 0.464285714286], [0.355555555556, 0.0444444444444, 0.464285714286], [0.377777777778, 0.0444444444444, 0.464285714286], [0.4, 0.0444444444444, 0.464285714286], [0.422222222222, 0.0444444444444, 0.464285714286], [0.444444444444, 0.0444444444444, 0.464285714286], [0.466666666667, 0.0444444444444, 0.464285714286], [0.0666666666667, 0.0666666666667, 0.464285714286], [0.0888888888889, 0.0666666666667, 0.464285714286], [0.111111111111, 0.0666666666667, 0.464285714286], [0.133333333333, 0.0666666666667, 0.464285714286], [0.155555555556, 0.0666666666667, 0.464285714286], [0.177777777778, 0.0666666666667, 0.464285714286], [0.2, 0.0666666666667, 0.464285714286], [0.222222222222, 0.0666666666667, 0.464285714286], [0.244444444444, 0.0666666666667, 0.464285714286], [0.266666666667, 0.0666666666667, 0.464285714286], [0.288888888889, 0.0666666666667, 0.464285714286], [0.311111111111, 0.0666666666667, 0.464285714286], [0.333333333333, 0.0666666666667, 0.464285714286], [0.355555555556, 0.0666666666667, 0.464285714286], [0.377777777778, 0.0666666666667, 0.464285714286], [0.4, 0.0666666666667, 0.464285714286], [0.422222222222, 0.0666666666667, 0.464285714286], [0.444444444444, 0.0666666666667, 0.464285714286], [0.466666666667, 0.0666666666667, 0.464285714286], [0.0888888888889, 0.0888888888889, 0.464285714286], [0.111111111111, 0.0888888888889, 0.464285714286], [0.133333333333, 0.0888888888889, 0.464285714286], [0.155555555556, 0.0888888888889, 0.464285714286], [0.177777777778, 0.0888888888889, 0.464285714286], [0.2, 0.0888888888889, 0.464285714286], [0.222222222222, 0.0888888888889, 0.464285714286], [0.244444444444, 0.0888888888889, 0.464285714286], [0.266666666667, 0.0888888888889, 0.464285714286], [0.288888888889, 0.0888888888889, 0.464285714286], [0.311111111111, 0.0888888888889, 0.464285714286], [0.333333333333, 0.0888888888889, 0.464285714286], [0.355555555556, 0.0888888888889, 0.464285714286], [0.377777777778, 0.0888888888889, 0.464285714286], [0.4, 0.0888888888889, 0.464285714286], [0.422222222222, 0.0888888888889, 0.464285714286], [0.444444444444, 0.0888888888889, 0.464285714286], [0.111111111111, 0.111111111111, 0.464285714286], [0.133333333333, 0.111111111111, 0.464285714286], [0.155555555556, 0.111111111111, 0.464285714286], [0.177777777778, 0.111111111111, 0.464285714286], [0.2, 0.111111111111, 0.464285714286], [0.222222222222, 0.111111111111, 0.464285714286], [0.244444444444, 0.111111111111, 0.464285714286], [0.266666666667, 0.111111111111, 0.464285714286], [0.288888888889, 0.111111111111, 0.464285714286], [0.311111111111, 0.111111111111, 0.464285714286], [0.333333333333, 0.111111111111, 0.464285714286], [0.355555555556, 0.111111111111, 0.464285714286], [0.377777777778, 0.111111111111, 0.464285714286], [0.4, 0.111111111111, 0.464285714286], [0.422222222222, 0.111111111111, 0.464285714286], [0.444444444444, 0.111111111111, 0.464285714286], [0.133333333333, 0.133333333333, 0.464285714286], [0.155555555556, 0.133333333333, 0.464285714286], [0.177777777778, 0.133333333333, 0.464285714286], [0.2, 0.133333333333, 0.464285714286], [0.222222222222, 0.133333333333, 0.464285714286], [0.244444444444, 0.133333333333, 0.464285714286], [0.266666666667, 0.133333333333, 0.464285714286], [0.288888888889, 0.133333333333, 0.464285714286], [0.311111111111, 0.133333333333, 0.464285714286], [0.333333333333, 0.133333333333, 0.464285714286], [0.355555555556, 0.133333333333, 0.464285714286], [0.377777777778, 0.133333333333, 0.464285714286], [0.4, 0.133333333333, 0.464285714286], [0.422222222222, 0.133333333333, 0.464285714286], [0.155555555556, 0.155555555556, 0.464285714286], [0.177777777778, 0.155555555556, 0.464285714286], [0.2, 0.155555555556, 0.464285714286], [0.222222222222, 0.155555555556, 0.464285714286], [0.244444444444, 0.155555555556, 0.464285714286], [0.266666666667, 0.155555555556, 0.464285714286], [0.288888888889, 0.155555555556, 0.464285714286], [0.311111111111, 0.155555555556, 0.464285714286], [0.333333333333, 0.155555555556, 0.464285714286], [0.355555555556, 0.155555555556, 0.464285714286], [0.377777777778, 0.155555555556, 0.464285714286], [0.4, 0.155555555556, 0.464285714286], [0.422222222222, 0.155555555556, 0.464285714286], [0.177777777778, 0.177777777778, 0.464285714286], [0.2, 0.177777777778, 0.464285714286], [0.222222222222, 0.177777777778, 0.464285714286], [0.244444444444, 0.177777777778, 0.464285714286], [0.266666666667, 0.177777777778, 0.464285714286], [0.288888888889, 0.177777777778, 0.464285714286], [0.311111111111, 0.177777777778, 0.464285714286], [0.333333333333, 0.177777777778, 0.464285714286], [0.355555555556, 0.177777777778, 0.464285714286], [0.377777777778, 0.177777777778, 0.464285714286], [0.4, 0.177777777778, 0.464285714286], [0.2, 0.2, 0.464285714286], [0.222222222222, 0.2, 0.464285714286], [0.244444444444, 0.2, 0.464285714286], [0.266666666667, 0.2, 0.464285714286], [0.288888888889, 0.2, 0.464285714286], [0.311111111111, 0.2, 0.464285714286], [0.333333333333, 0.2, 0.464285714286], [0.355555555556, 0.2, 0.464285714286], [0.377777777778, 0.2, 0.464285714286], [0.4, 0.2, 0.464285714286], [0.222222222222, 0.222222222222, 0.464285714286], [0.244444444444, 0.222222222222, 0.464285714286], [0.266666666667, 0.222222222222, 0.464285714286], [0.288888888889, 0.222222222222, 0.464285714286], [0.311111111111, 0.222222222222, 0.464285714286], [0.333333333333, 0.222222222222, 0.464285714286], [0.355555555556, 0.222222222222, 0.464285714286], [0.377777777778, 0.222222222222, 0.464285714286], [0.244444444444, 0.244444444444, 0.464285714286], [0.266666666667, 0.244444444444, 0.464285714286], [0.288888888889, 0.244444444444, 0.464285714286], [0.311111111111, 0.244444444444, 0.464285714286], [0.333333333333, 0.244444444444, 0.464285714286], [0.355555555556, 0.244444444444, 0.464285714286], [0.377777777778, 0.244444444444, 0.464285714286], [0.266666666667, 0.266666666667, 0.464285714286], [0.288888888889, 0.266666666667, 0.464285714286], [0.311111111111, 0.266666666667, 0.464285714286], [0.333333333333, 0.266666666667, 0.464285714286], [0.355555555556, 0.266666666667, 0.464285714286], [0.288888888889, 0.288888888889, 0.464285714286], [0.311111111111, 0.288888888889, 0.464285714286], [0.333333333333, 0.288888888889, 0.464285714286], [0.355555555556, 0.288888888889, 0.464285714286], [0.311111111111, 0.311111111111, 0.464285714286], [0.333333333333, 0.311111111111, 0.464285714286], [0.333333333333, 0.333333333333, 0.464285714286], [0.0, 0.0, 0.5], [0.0222222222222, 0.0, 0.5], [0.0444444444444, 0.0, 0.5], [0.0666666666667, 0.0, 0.5], [0.0888888888889, 0.0, 0.5], [0.111111111111, 0.0, 0.5], [0.133333333333, 0.0, 0.5], [0.155555555556, 0.0, 0.5], [0.177777777778, 0.0, 0.5], [0.2, 0.0, 0.5], [0.222222222222, 0.0, 0.5], [0.244444444444, 0.0, 0.5], [0.266666666667, 0.0, 0.5], [0.288888888889, 0.0, 0.5], [0.311111111111, 0.0, 0.5], [0.333333333333, 0.0, 0.5], [0.355555555556, 0.0, 0.5], [0.377777777778, 0.0, 0.5], [0.4, 0.0, 0.5], [0.422222222222, 0.0, 0.5], [0.444444444444, 0.0, 0.5], [0.466666666667, 0.0, 0.5], [0.488888888889, 0.0, 0.5], [0.0222222222222, 0.0222222222222, 0.5], [0.0444444444444, 0.0222222222222, 0.5], [0.0666666666667, 0.0222222222222, 0.5], [0.0888888888889, 0.0222222222222, 0.5], [0.111111111111, 0.0222222222222, 0.5], [0.133333333333, 0.0222222222222, 0.5], [0.155555555556, 0.0222222222222, 0.5], [0.177777777778, 0.0222222222222, 0.5], [0.2, 0.0222222222222, 0.5], [0.222222222222, 0.0222222222222, 0.5], [0.244444444444, 0.0222222222222, 0.5], [0.266666666667, 0.0222222222222, 0.5], [0.288888888889, 0.0222222222222, 0.5], [0.311111111111, 0.0222222222222, 0.5], [0.333333333333, 0.0222222222222, 0.5], [0.355555555556, 0.0222222222222, 0.5], [0.377777777778, 0.0222222222222, 0.5], [0.4, 0.0222222222222, 0.5], [0.422222222222, 0.0222222222222, 0.5], [0.444444444444, 0.0222222222222, 0.5], [0.466666666667, 0.0222222222222, 0.5], [0.488888888889, 0.0222222222222, 0.5], [0.0444444444444, 0.0444444444444, 0.5], [0.0666666666667, 0.0444444444444, 0.5], [0.0888888888889, 0.0444444444444, 0.5], [0.111111111111, 0.0444444444444, 0.5], [0.133333333333, 0.0444444444444, 0.5], [0.155555555556, 0.0444444444444, 0.5], [0.177777777778, 0.0444444444444, 0.5], [0.2, 0.0444444444444, 0.5], [0.222222222222, 0.0444444444444, 0.5], [0.244444444444, 0.0444444444444, 0.5], [0.266666666667, 0.0444444444444, 0.5], [0.288888888889, 0.0444444444444, 0.5], [0.311111111111, 0.0444444444444, 0.5], [0.333333333333, 0.0444444444444, 0.5], [0.355555555556, 0.0444444444444, 0.5], [0.377777777778, 0.0444444444444, 0.5], [0.4, 0.0444444444444, 0.5], [0.422222222222, 0.0444444444444, 0.5], [0.444444444444, 0.0444444444444, 0.5], [0.466666666667, 0.0444444444444, 0.5], [0.0666666666667, 0.0666666666667, 0.5], [0.0888888888889, 0.0666666666667, 0.5], [0.111111111111, 0.0666666666667, 0.5], [0.133333333333, 0.0666666666667, 0.5], [0.155555555556, 0.0666666666667, 0.5], [0.177777777778, 0.0666666666667, 0.5], [0.2, 0.0666666666667, 0.5], [0.222222222222, 0.0666666666667, 0.5], [0.244444444444, 0.0666666666667, 0.5], [0.266666666667, 0.0666666666667, 0.5], [0.288888888889, 0.0666666666667, 0.5], [0.311111111111, 0.0666666666667, 0.5], [0.333333333333, 0.0666666666667, 0.5], [0.355555555556, 0.0666666666667, 0.5], [0.377777777778, 0.0666666666667, 0.5], [0.4, 0.0666666666667, 0.5], [0.422222222222, 0.0666666666667, 0.5], [0.444444444444, 0.0666666666667, 0.5], [0.466666666667, 0.0666666666667, 0.5], [0.0888888888889, 0.0888888888889, 0.5], [0.111111111111, 0.0888888888889, 0.5], [0.133333333333, 0.0888888888889, 0.5], [0.155555555556, 0.0888888888889, 0.5], [0.177777777778, 0.0888888888889, 0.5], [0.2, 0.0888888888889, 0.5], [0.222222222222, 0.0888888888889, 0.5], [0.244444444444, 0.0888888888889, 0.5], [0.266666666667, 0.0888888888889, 0.5], [0.288888888889, 0.0888888888889, 0.5], [0.311111111111, 0.0888888888889, 0.5], [0.333333333333, 0.0888888888889, 0.5], [0.355555555556, 0.0888888888889, 0.5], [0.377777777778, 0.0888888888889, 0.5], [0.4, 0.0888888888889, 0.5], [0.422222222222, 0.0888888888889, 0.5], [0.444444444444, 0.0888888888889, 0.5], [0.111111111111, 0.111111111111, 0.5], [0.133333333333, 0.111111111111, 0.5], [0.155555555556, 0.111111111111, 0.5], [0.177777777778, 0.111111111111, 0.5], [0.2, 0.111111111111, 0.5], [0.222222222222, 0.111111111111, 0.5], [0.244444444444, 0.111111111111, 0.5], [0.266666666667, 0.111111111111, 0.5], [0.288888888889, 0.111111111111, 0.5], [0.311111111111, 0.111111111111, 0.5], [0.333333333333, 0.111111111111, 0.5], [0.355555555556, 0.111111111111, 0.5], [0.377777777778, 0.111111111111, 0.5], [0.4, 0.111111111111, 0.5], [0.422222222222, 0.111111111111, 0.5], [0.444444444444, 0.111111111111, 0.5], [0.133333333333, 0.133333333333, 0.5], [0.155555555556, 0.133333333333, 0.5], [0.177777777778, 0.133333333333, 0.5], [0.2, 0.133333333333, 0.5], [0.222222222222, 0.133333333333, 0.5], [0.244444444444, 0.133333333333, 0.5], [0.266666666667, 0.133333333333, 0.5], [0.288888888889, 0.133333333333, 0.5], [0.311111111111, 0.133333333333, 0.5], [0.333333333333, 0.133333333333, 0.5], [0.355555555556, 0.133333333333, 0.5], [0.377777777778, 0.133333333333, 0.5], [0.4, 0.133333333333, 0.5], [0.422222222222, 0.133333333333, 0.5], [0.155555555556, 0.155555555556, 0.5], [0.177777777778, 0.155555555556, 0.5], [0.2, 0.155555555556, 0.5], [0.222222222222, 0.155555555556, 0.5], [0.244444444444, 0.155555555556, 0.5], [0.266666666667, 0.155555555556, 0.5], [0.288888888889, 0.155555555556, 0.5], [0.311111111111, 0.155555555556, 0.5], [0.333333333333, 0.155555555556, 0.5], [0.355555555556, 0.155555555556, 0.5], [0.377777777778, 0.155555555556, 0.5], [0.4, 0.155555555556, 0.5], [0.422222222222, 0.155555555556, 0.5], [0.177777777778, 0.177777777778, 0.5], [0.2, 0.177777777778, 0.5], [0.222222222222, 0.177777777778, 0.5], [0.244444444444, 0.177777777778, 0.5], [0.266666666667, 0.177777777778, 0.5], [0.288888888889, 0.177777777778, 0.5], [0.311111111111, 0.177777777778, 0.5], [0.333333333333, 0.177777777778, 0.5], [0.355555555556, 0.177777777778, 0.5], [0.377777777778, 0.177777777778, 0.5], [0.4, 0.177777777778, 0.5], [0.2, 0.2, 0.5], [0.222222222222, 0.2, 0.5], [0.244444444444, 0.2, 0.5], [0.266666666667, 0.2, 0.5], [0.288888888889, 0.2, 0.5], [0.311111111111, 0.2, 0.5], [0.333333333333, 0.2, 0.5], [0.355555555556, 0.2, 0.5], [0.377777777778, 0.2, 0.5], [0.4, 0.2, 0.5], [0.222222222222, 0.222222222222, 0.5], [0.244444444444, 0.222222222222, 0.5], [0.266666666667, 0.222222222222, 0.5], [0.288888888889, 0.222222222222, 0.5], [0.311111111111, 0.222222222222, 0.5], [0.333333333333, 0.222222222222, 0.5], [0.355555555556, 0.222222222222, 0.5], [0.377777777778, 0.222222222222, 0.5], [0.244444444444, 0.244444444444, 0.5], [0.266666666667, 0.244444444444, 0.5], [0.288888888889, 0.244444444444, 0.5], [0.311111111111, 0.244444444444, 0.5], [0.333333333333, 0.244444444444, 0.5], [0.355555555556, 0.244444444444, 0.5], [0.377777777778, 0.244444444444, 0.5], [0.266666666667, 0.266666666667, 0.5], [0.288888888889, 0.266666666667, 0.5], [0.311111111111, 0.266666666667, 0.5], [0.333333333333, 0.266666666667, 0.5], [0.355555555556, 0.266666666667, 0.5], [0.288888888889, 0.288888888889, 0.5], [0.311111111111, 0.288888888889, 0.5], [0.333333333333, 0.288888888889, 0.5], [0.355555555556, 0.288888888889, 0.5], [0.311111111111, 0.311111111111, 0.5], [0.333333333333, 0.311111111111, 0.5], [0.333333333333, 0.333333333333, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 6.0, 12.0, 2.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 12.0, 24.0, 4.0, 1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 6.0, 12.0, 2.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0, 5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 7]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.42387, -2.466215, -0.0], [-1.42387, 2.466215, 0.0], [0.0, 0.0, -4.533137]], "a": 2.8477398411942407, "b": 2.8477398411942407, "c": 4.533137, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999631058135, "volume": 31.836851728942563}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.6667, 0.3333, 0.75], "xyz": [-1.42387, -0.8222360809999999, -3.39985275], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.3333, 0.6667, 0.25], "xyz": [-1.42387, 0.8222360809999999, -1.13328425], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [5.0, 5.0], "NCORE": 4, "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 5]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": -0.0086197}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {"magmom": -0.003}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {"magmom": -0.003}}]}, "nsites": 2, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 20.536042183882355, "density": 9.031224406188747, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555d6"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:13:55.045000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2017-04-07 02:52:34"}, "task_ids": ["mp-1062022", "mp-1062048", "mp-1062926", "mp-1018351", "mp-1018504", "mp-1439297", "mp-1018134", "mp-1018607", "mp-1063502", "mp-1062890", "mp-1062910", "mp-1063475", "mp-1062029", "mp-1063486", "mp-1062040", "mp-1062938", "mp-1063462"], "deprecated_tasks": [], "task_id": "mp-1018134", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-1018504", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2017-04-07 10:39:44"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-1018504", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2017-04-07 10:39:44"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1439297", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:13:55.045000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1439297", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:13:55.045000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1439297", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:13:55.045000"}}], "task_types": {"mp-1018351": "GGA Static", "mp-1018607": "GGA NSCF Line", "mp-1018504": "GGA NSCF Uniform", "mp-1018134": "GGA Structure Optimization", "mp-1062022": "GGA Structure Optimization", "mp-1062029": "GGA Static", "mp-1062040": "GGA NSCF Line", "mp-1062048": "GGA NSCF Uniform", "mp-1062910": "GGA Static", "mp-1062926": "GGA NSCF Line", "mp-1062890": "GGA Structure Optimization", "mp-1062938": "GGA NSCF Uniform", "mp-1063462": "GGA Structure Optimization", "mp-1063486": "GGA NSCF Line", "mp-1063502": "GGA NSCF Uniform", "mp-1063475": "GGA Static", "mp-1439297": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-1018607", "cbm": null, "dos_task": "mp-1018504", "efermi": -0.24175133, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-1018504", "vbm": null}, "energy": -5.72676856, "energy_per_atom": -1.9089228533333333, "entries": {"gga": {"composition": {"Li": 3.0}, "energy": -5.72676856, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1439297"}, "entry_id": "mp-1018134"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 3e-06, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 15, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 231, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0138888888889, 0.0, 0.0], [0.0277777777778, 0.0, 0.0], [0.0416666666667, 0.0, -3.46944695195e-18], [0.0555555555556, 0.0, 0.0], [0.0694444444444, -6.93889390391e-18, 0.0], [0.0833333333333, 0.0, -6.93889390391e-18], [0.0972222222222, -6.93889390391e-18, 0.0], [0.111111111111, 0.0, 0.0], [0.125, -6.93889390391e-18, -6.93889390391e-18], [0.138888888889, -1.38777878078e-17, 0.0], [0.152777777778, -1.38777878078e-17, -1.38777878078e-17], [0.166666666667, 0.0, -1.38777878078e-17], [0.180555555556, 1.38777878078e-17, 0.0], [0.194444444444, -1.38777878078e-17, 0.0], [0.208333333333, -1.38777878078e-17, 0.0], [0.222222222222, 0.0, 0.0], [0.236111111111, -1.38777878078e-17, 0.0], [0.25, -1.38777878078e-17, -1.38777878078e-17], [0.263888888889, -2.77555756156e-17, -2.77555756156e-17], [0.277777777778, -2.77555756156e-17, 0.0], [0.291666666667, 0.0, 0.0], [0.305555555556, -2.77555756156e-17, -2.77555756156e-17], [0.319444444444, 0.0, 0.0], [0.333333333333, 0.0, -2.77555756156e-17], [0.347222222222, 0.0, 0.0], [0.361111111111, 2.77555756156e-17, 0.0], [0.375, -2.77555756156e-17, -2.77555756156e-17], [0.388888888889, -2.77555756156e-17, 0.0], [0.402777777778, -2.77555756156e-17, 0.0], [0.416666666667, -2.77555756156e-17, 0.0], [0.430555555556, -2.77555756156e-17, -2.77555756156e-17], [0.444444444444, 0.0, 0.0], [0.458333333333, 0.0, -2.77555756156e-17], [0.472222222222, -2.77555756156e-17, 0.0], [0.486111111111, 0.0, -2.77555756156e-17], [0.5, -2.77555756156e-17, -2.77555756156e-17], [0.5, -2.77555756156e-17, -2.77555756156e-17], [0.5, 0.00800605347302, -0.00800605347302], [0.5, 0.016012106946, -0.016012106946], [0.5, 0.0240181604191, -0.0240181604191], [0.5, 0.0320242138921, -0.0320242138921], [0.5, 0.0400302673651, -0.0400302673651], [0.5, 0.0480363208381, -0.0480363208381], [0.5, 0.0560423743111, -0.0560423743111], [0.5, 0.0640484277842, -0.0640484277842], [0.5, 0.0720544812572, -0.0720544812572], [0.5, 0.0800605347302, -0.0800605347302], [0.5, 0.0880665882032, -0.0880665882032], [0.5, 0.0960726416762, -0.0960726416762], [0.5, 0.104078695149, -0.104078695149], [0.5, 0.112084748622, -0.112084748622], [0.5, 0.120090802095, -0.120090802095], [0.5, 0.128096855568, -0.128096855568], [0.5, 0.136102909041, -0.136102909041], [0.5, 0.144108962514, -0.144108962514], [0.5, 0.152115015987, -0.152115015987], [0.5, 0.16012106946, -0.16012106946], [0.5, 0.168127122933, -0.168127122933], [0.5, 0.176133176406, -0.176133176406], [0.823866823594, 0.5, 0.176133176406], [0.815770153004, 0.5, 0.184229846996], [0.807673482414, 0.5, 0.192326517586], [0.799576811824, 0.5, 0.200423188176], [0.791480141234, 0.5, 0.208519858766], [0.783383470644, 0.5, 0.216616529356], [0.775286800055, 0.5, 0.224713199945], [0.767190129465, 0.5, 0.232809870535], [0.759093458875, 0.5, 0.240906541125], [0.750996788285, 0.5, 0.249003211715], [0.742900117695, 0.5, 0.257099882305], [0.734803447105, 0.5, 0.265196552895], [0.726706776516, 0.5, 0.273293223484], [0.718610105926, 0.5, 0.281389894074], [0.710513435336, 0.5, 0.289486564664], [0.702416764746, 0.5, 0.297583235254], [0.694320094156, 0.5, 0.305679905844], [0.686223423566, 0.5, 0.313776576434], [0.678126752976, 0.5, 0.321873247024], [0.670030082387, 0.5, 0.329969917613], [0.661933411797, 0.5, 0.338066588203], [0.653836741207, 0.5, 0.346163258793], [0.645740070617, 0.5, 0.354259929383], [0.637643400027, 0.5, 0.362356599973], [0.629546729437, 0.5, 0.370453270563], [0.621450058848, 0.5, 0.378549941152], [0.613353388258, 0.5, 0.386646611742], [0.605256717668, 0.5, 0.394743282332], [0.597160047078, 0.5, 0.402839952922], [0.589063376488, 0.5, 0.410936623512], [0.580966705898, 0.5, 0.419033294102], [0.572870035309, 0.5, 0.427129964691], [0.564773364719, 0.5, 0.435226635281], [0.556676694129, 0.5, 0.443323305871], [0.548580023539, 0.5, 0.451419976461], [0.540483352949, 0.5, 0.459516647051], [0.532386682359, 0.5, 0.467613317641], [0.52429001177, 0.5, 0.47570998823], [0.51619334118, 0.5, 0.48380665882], [0.50809667059, 0.5, 0.49190332941], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.461538461538, 0.461538461538, 0.461538461538], [0.423076923077, 0.423076923077, 0.423076923077], [0.384615384615, 0.384615384615, 0.384615384615], [0.346153846154, 0.346153846154, 0.346153846154], [0.307692307692, 0.307692307692, 0.307692307692], [0.269230769231, 0.269230769231, 0.269230769231], [0.230769230769, 0.230769230769, 0.230769230769], [0.192307692308, 0.192307692308, 0.192307692308], [0.153846153846, 0.153846153846, 0.153846153846], [0.115384615385, 0.115384615385, 0.115384615385], [0.0769230769231, 0.0769230769231, 0.0769230769231], [0.0384615384615, 0.0384615384615, 0.0384615384615], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.00804920448103, 0.0, -0.00804920448103], [0.0160984089621, 0.0, -0.0160984089621], [0.0241476134431, 0.0, -0.0241476134431], [0.0321968179241, 0.0, -0.0321968179241], [0.0402460224051, -3.46944695195e-18, -0.0402460224051], [0.0482952268862, 0.0, -0.0482952268862], [0.0563444313672, -3.46944695195e-18, -0.0563444313672], [0.0643936358482, 0.0, -0.0643936358482], [0.0724428403293, 0.0, -0.0724428403293], [0.0804920448103, -6.93889390391e-18, -0.0804920448103], [0.0885412492913, 6.93889390391e-18, -0.0885412492913], [0.0965904537723, 0.0, -0.0965904537723], [0.104639658253, 0.0, -0.104639658253], [0.112688862734, -6.93889390391e-18, -0.112688862734], [0.120738067215, 0.0, -0.120738067215], [0.128787271696, 0.0, -0.128787271696], [0.136836476177, -1.38777878078e-17, -0.136836476177], [0.144885680659, 0.0, -0.144885680659], [0.15293488514, 0.0, -0.15293488514], [0.160984089621, -1.38777878078e-17, -0.160984089621], [0.169033294102, -1.38777878078e-17, -0.169033294102], [0.177082498583, 1.38777878078e-17, -0.177082498583], [0.185131703064, -1.38777878078e-17, -0.185131703064], [0.193180907545, 0.0, -0.193180907545], [0.201230112026, 0.0, -0.201230112026], [0.209279316507, 0.0, -0.209279316507], [0.217328520988, 0.0, -0.217328520988], [0.225377725469, -1.38777878078e-17, -0.225377725469], [0.23342692995, 1.38777878078e-17, -0.23342692995], [0.241476134431, 0.0, -0.241476134431], [0.249525338912, -1.38777878078e-17, -0.249525338912], [0.257574543393, 0.0, -0.257574543393], [0.265623747874, 0.0, -0.265623747874], [0.273672952355, -2.77555756156e-17, -0.273672952355], [0.281722156836, 0.0, -0.281722156836], [0.289771361317, 0.0, -0.289771361317], [0.297820565798, 0.0, -0.297820565798], [0.305869770279, 0.0, -0.305869770279], [0.31391897476, 0.0, -0.31391897476], [0.321968179241, -2.77555756156e-17, -0.321968179241], [0.330017383722, 2.77555756156e-17, -0.330017383722], [0.338066588203, -2.77555756156e-17, -0.338066588203], [0.661933411797, 0.338066588203, 0.0], [0.653836741207, 0.346163258793, 0.0], [0.645740070617, 0.354259929383, 5.55111512313e-17], [0.637643400027, 0.362356599973, 5.55111512313e-17], [0.629546729437, 0.370453270563, 5.55111512313e-17], [0.621450058848, 0.378549941152, 5.55111512313e-17], [0.613353388258, 0.386646611742, 5.55111512313e-17], [0.605256717668, 0.394743282332, 5.55111512313e-17], [0.597160047078, 0.402839952922, 5.55111512313e-17], [0.589063376488, 0.410936623512, 5.55111512313e-17], [0.580966705898, 0.419033294102, -5.55111512313e-17], [0.572870035309, 0.427129964691, -5.55111512313e-17], [0.564773364719, 0.435226635281, -5.55111512313e-17], [0.556676694129, 0.443323305871, -5.55111512313e-17], [0.548580023539, 0.451419976461, -5.55111512313e-17], [0.540483352949, 0.459516647051, -5.55111512313e-17], [0.532386682359, 0.467613317641, -5.55111512313e-17], [0.52429001177, 0.47570998823, -5.55111512313e-17], [0.51619334118, 0.48380665882, -5.55111512313e-17], [0.50809667059, 0.49190332941, -5.55111512313e-17], [0.5, 0.5, -5.55111512313e-17], [0.5, 0.5, -5.55111512313e-17], [0.532386682359, 0.532386682359, 0.0352266352813], [0.564773364719, 0.564773364719, 0.0704532705626], [0.597160047078, 0.597160047078, 0.105679905844], [0.629546729437, 0.629546729437, 0.140906541125], [0.661933411797, 0.661933411797, 0.176133176406], [0.661933411797, 0.661933411797, 0.176133176406], [0.657306742888, 0.657306742888, 0.185386514223], [0.65268007398, 0.65268007398, 0.19463985204], [0.648053405071, 0.648053405071, 0.203893189857], [0.643426736163, 0.643426736163, 0.213146527674], [0.638800067254, 0.638800067254, 0.222399865491], [0.634173398346, 0.634173398346, 0.231653203308], [0.629546729437, 0.629546729437, 0.240906541125], [0.624920060529, 0.624920060529, 0.250159878942], [0.62029339162, 0.62029339162, 0.259413216759], [0.615666722712, 0.615666722712, 0.268666554576], [0.611040053804, 0.611040053804, 0.277919892393], [0.606413384895, 0.606413384895, 0.28717323021], [0.601786715987, 0.601786715987, 0.296426568027], [0.597160047078, 0.597160047078, 0.305679905844], [0.59253337817, 0.59253337817, 0.314933243661], [0.587906709261, 0.587906709261, 0.324186581478], [0.583280040353, 0.583280040353, 0.333439919295], [0.578653371444, 0.578653371444, 0.342693257112], [0.574026702536, 0.574026702536, 0.351946594929], [0.569400033627, 0.569400033627, 0.361199932746], [0.564773364719, 0.564773364719, 0.370453270563], [0.56014669581, 0.56014669581, 0.37970660838], [0.555520026902, 0.555520026902, 0.388959946196], [0.550893357993, 0.550893357993, 0.398213284013], [0.546266689085, 0.546266689085, 0.40746662183], [0.541640020176, 0.541640020176, 0.416719959647], [0.537013351268, 0.537013351268, 0.425973297464], [0.532386682359, 0.532386682359, 0.435226635281], [0.527760013451, 0.527760013451, 0.444479973098], [0.523133344542, 0.523133344542, 0.453733310915], [0.518506675634, 0.518506675634, 0.462986648732], [0.513880006725, 0.513880006725, 0.472239986549], [0.509253337817, 0.509253337817, 0.481493324366], [0.504626668908, 0.504626668908, 0.490746662183], [0.5, 0.5, 0.5], [0.5, -2.77555756156e-17, -2.77555756156e-17], [0.535985202622, 0.0375629542448, 0.0375629542448], [0.571970405243, 0.0751259084896, 0.0751259084896], [0.607955607865, 0.112688862734, 0.112688862734], [0.643940810486, 0.150251816979, 0.150251816979], [0.679926013108, 0.187814771224, 0.187814771224], [0.715911215729, 0.225377725469, 0.225377725469], [0.751896418351, 0.262940679714, 0.262940679714], [0.787881620972, 0.300503633958, 0.300503633958], [0.823866823594, 0.338066588203, 0.338066588203]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "B_1", "B", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "Z", "Z", null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "Q", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "F", "F", null, null, null, null, "P_1", "P_1", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "Z", "L", null, null, null, null, null, null, null, null, "P"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 3e-06, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 12, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 670, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0526315789474, 0.0, 0.0], [0.105263157895, 0.0, 0.0], [0.157894736842, 0.0, 0.0], [0.210526315789, 0.0, 0.0], [0.263157894737, 0.0, 0.0], [0.315789473684, 0.0, 0.0], [0.368421052632, 0.0, 0.0], [0.421052631579, 0.0, 0.0], [0.473684210526, 0.0, 0.0], [0.0526315789474, 0.0526315789474, 0.0], [0.105263157895, 0.0526315789474, 0.0], [0.157894736842, 0.0526315789474, 0.0], [0.210526315789, 0.0526315789474, 0.0], [0.263157894737, 0.0526315789474, 0.0], [0.315789473684, 0.0526315789474, 0.0], [0.368421052632, 0.0526315789474, 0.0], [0.421052631579, 0.0526315789474, 0.0], [0.473684210526, 0.0526315789474, 0.0], [-0.473684210526, 0.0526315789474, 0.0], [-0.421052631579, 0.0526315789474, 0.0], [-0.368421052632, 0.0526315789474, 0.0], [-0.315789473684, 0.0526315789474, 0.0], [-0.263157894737, 0.0526315789474, 0.0], [-0.210526315789, 0.0526315789474, 0.0], [-0.157894736842, 0.0526315789474, 0.0], [-0.105263157895, 0.0526315789474, 0.0], [-0.0526315789474, 0.0526315789474, 0.0], [0.105263157895, 0.105263157895, 0.0], [0.157894736842, 0.105263157895, 0.0], [0.210526315789, 0.105263157895, 0.0], [0.263157894737, 0.105263157895, 0.0], [0.315789473684, 0.105263157895, 0.0], [0.368421052632, 0.105263157895, 0.0], [0.421052631579, 0.105263157895, 0.0], [0.473684210526, 0.105263157895, 0.0], [-0.473684210526, 0.105263157895, 0.0], [-0.421052631579, 0.105263157895, 0.0], [-0.368421052632, 0.105263157895, 0.0], [-0.315789473684, 0.105263157895, 0.0], [-0.263157894737, 0.105263157895, 0.0], [-0.210526315789, 0.105263157895, 0.0], [-0.157894736842, 0.105263157895, 0.0], [-0.105263157895, 0.105263157895, 0.0], [0.157894736842, 0.157894736842, 0.0], [0.210526315789, 0.157894736842, 0.0], [0.263157894737, 0.157894736842, 0.0], [0.315789473684, 0.157894736842, 0.0], [0.368421052632, 0.157894736842, 0.0], [0.421052631579, 0.157894736842, 0.0], [0.473684210526, 0.157894736842, 0.0], [-0.473684210526, 0.157894736842, 0.0], [-0.421052631579, 0.157894736842, 0.0], [-0.368421052632, 0.157894736842, 0.0], [-0.315789473684, 0.157894736842, 0.0], [-0.263157894737, 0.157894736842, 0.0], [-0.210526315789, 0.157894736842, 0.0], [-0.157894736842, 0.157894736842, 0.0], [0.210526315789, 0.210526315789, 0.0], [0.263157894737, 0.210526315789, 0.0], [0.315789473684, 0.210526315789, 0.0], [0.368421052632, 0.210526315789, 0.0], [0.421052631579, 0.210526315789, 0.0], [0.473684210526, 0.210526315789, 0.0], [-0.473684210526, 0.210526315789, 0.0], [-0.421052631579, 0.210526315789, 0.0], [-0.368421052632, 0.210526315789, 0.0], [-0.315789473684, 0.210526315789, 0.0], [-0.263157894737, 0.210526315789, 0.0], [-0.210526315789, 0.210526315789, 0.0], [0.263157894737, 0.263157894737, 0.0], [0.315789473684, 0.263157894737, 0.0], [0.368421052632, 0.263157894737, 0.0], [0.421052631579, 0.263157894737, 0.0], [0.473684210526, 0.263157894737, 0.0], [-0.473684210526, 0.263157894737, 0.0], [-0.421052631579, 0.263157894737, 0.0], [-0.368421052632, 0.263157894737, 0.0], [-0.315789473684, 0.263157894737, 0.0], [-0.263157894737, 0.263157894737, 0.0], [0.315789473684, 0.315789473684, 0.0], [0.368421052632, 0.315789473684, 0.0], [0.421052631579, 0.315789473684, 0.0], [0.473684210526, 0.315789473684, 0.0], [-0.473684210526, 0.315789473684, 0.0], [-0.421052631579, 0.315789473684, 0.0], [-0.368421052632, 0.315789473684, 0.0], [-0.315789473684, 0.315789473684, 0.0], [0.368421052632, 0.368421052632, 0.0], [0.421052631579, 0.368421052632, 0.0], [0.473684210526, 0.368421052632, 0.0], [-0.473684210526, 0.368421052632, 0.0], [-0.421052631579, 0.368421052632, 0.0], [-0.368421052632, 0.368421052632, 0.0], [0.421052631579, 0.421052631579, 0.0], [0.473684210526, 0.421052631579, 0.0], [-0.473684210526, 0.421052631579, 0.0], [-0.421052631579, 0.421052631579, 0.0], [0.473684210526, 0.473684210526, 0.0], [-0.473684210526, 0.473684210526, 0.0], [0.0526315789474, 0.0526315789474, 0.0526315789474], [0.105263157895, 0.0526315789474, 0.0526315789474], [0.157894736842, 0.0526315789474, 0.0526315789474], [0.210526315789, 0.0526315789474, 0.0526315789474], [0.263157894737, 0.0526315789474, 0.0526315789474], [0.315789473684, 0.0526315789474, 0.0526315789474], [0.368421052632, 0.0526315789474, 0.0526315789474], [0.421052631579, 0.0526315789474, 0.0526315789474], [0.473684210526, 0.0526315789474, 0.0526315789474], [-0.473684210526, 0.0526315789474, 0.0526315789474], [-0.421052631579, 0.0526315789474, 0.0526315789474], [-0.368421052632, 0.0526315789474, 0.0526315789474], [-0.315789473684, 0.0526315789474, 0.0526315789474], [-0.263157894737, 0.0526315789474, 0.0526315789474], [-0.210526315789, 0.0526315789474, 0.0526315789474], [-0.157894736842, 0.0526315789474, 0.0526315789474], [-0.105263157895, 0.0526315789474, 0.0526315789474], [-0.0526315789474, 0.0526315789474, 0.0526315789474], [0.105263157895, 0.105263157895, 0.0526315789474], [0.157894736842, 0.105263157895, 0.0526315789474], [0.210526315789, 0.105263157895, 0.0526315789474], [0.263157894737, 0.105263157895, 0.0526315789474], [0.315789473684, 0.105263157895, 0.0526315789474], [0.368421052632, 0.105263157895, 0.0526315789474], [0.421052631579, 0.105263157895, 0.0526315789474], [0.473684210526, 0.105263157895, 0.0526315789474], [-0.473684210526, 0.105263157895, 0.0526315789474], [-0.421052631579, 0.105263157895, 0.0526315789474], [-0.368421052632, 0.105263157895, 0.0526315789474], [-0.315789473684, 0.105263157895, 0.0526315789474], [-0.263157894737, 0.105263157895, 0.0526315789474], [-0.210526315789, 0.105263157895, 0.0526315789474], [-0.157894736842, 0.105263157895, 0.0526315789474], [-0.105263157895, 0.105263157895, 0.0526315789474], [-0.0526315789474, 0.105263157895, 0.0526315789474], [0.157894736842, 0.157894736842, 0.0526315789474], [0.210526315789, 0.157894736842, 0.0526315789474], [0.263157894737, 0.157894736842, 0.0526315789474], [0.315789473684, 0.157894736842, 0.0526315789474], [0.368421052632, 0.157894736842, 0.0526315789474], [0.421052631579, 0.157894736842, 0.0526315789474], [0.473684210526, 0.157894736842, 0.0526315789474], [-0.473684210526, 0.157894736842, 0.0526315789474], [-0.421052631579, 0.157894736842, 0.0526315789474], [-0.368421052632, 0.157894736842, 0.0526315789474], [-0.315789473684, 0.157894736842, 0.0526315789474], [-0.263157894737, 0.157894736842, 0.0526315789474], [-0.210526315789, 0.157894736842, 0.0526315789474], [-0.157894736842, 0.157894736842, 0.0526315789474], [-0.105263157895, 0.157894736842, 0.0526315789474], [-0.0526315789474, 0.157894736842, 0.0526315789474], [0.210526315789, 0.210526315789, 0.0526315789474], [0.263157894737, 0.210526315789, 0.0526315789474], [0.315789473684, 0.210526315789, 0.0526315789474], [0.368421052632, 0.210526315789, 0.0526315789474], [0.421052631579, 0.210526315789, 0.0526315789474], [0.473684210526, 0.210526315789, 0.0526315789474], [-0.473684210526, 0.210526315789, 0.0526315789474], [-0.421052631579, 0.210526315789, 0.0526315789474], [-0.368421052632, 0.210526315789, 0.0526315789474], [-0.315789473684, 0.210526315789, 0.0526315789474], [-0.263157894737, 0.210526315789, 0.0526315789474], [-0.210526315789, 0.210526315789, 0.0526315789474], [-0.157894736842, 0.210526315789, 0.0526315789474], [-0.105263157895, 0.210526315789, 0.0526315789474], [-0.0526315789474, 0.210526315789, 0.0526315789474], [0.263157894737, 0.263157894737, 0.0526315789474], [0.315789473684, 0.263157894737, 0.0526315789474], [0.368421052632, 0.263157894737, 0.0526315789474], [0.421052631579, 0.263157894737, 0.0526315789474], [0.473684210526, 0.263157894737, 0.0526315789474], [-0.473684210526, 0.263157894737, 0.0526315789474], [-0.421052631579, 0.263157894737, 0.0526315789474], [-0.368421052632, 0.263157894737, 0.0526315789474], [-0.315789473684, 0.263157894737, 0.0526315789474], [-0.263157894737, 0.263157894737, 0.0526315789474], [-0.210526315789, 0.263157894737, 0.0526315789474], [-0.157894736842, 0.263157894737, 0.0526315789474], [-0.105263157895, 0.263157894737, 0.0526315789474], [-0.0526315789474, 0.263157894737, 0.0526315789474], [0.315789473684, 0.315789473684, 0.0526315789474], [0.368421052632, 0.315789473684, 0.0526315789474], [0.421052631579, 0.315789473684, 0.0526315789474], [0.473684210526, 0.315789473684, 0.0526315789474], [-0.473684210526, 0.315789473684, 0.0526315789474], [-0.421052631579, 0.315789473684, 0.0526315789474], [-0.368421052632, 0.315789473684, 0.0526315789474], [-0.315789473684, 0.315789473684, 0.0526315789474], [-0.263157894737, 0.315789473684, 0.0526315789474], [-0.210526315789, 0.315789473684, 0.0526315789474], [-0.157894736842, 0.315789473684, 0.0526315789474], [-0.105263157895, 0.315789473684, 0.0526315789474], [-0.0526315789474, 0.315789473684, 0.0526315789474], [0.368421052632, 0.368421052632, 0.0526315789474], [0.421052631579, 0.368421052632, 0.0526315789474], [0.473684210526, 0.368421052632, 0.0526315789474], [-0.473684210526, 0.368421052632, 0.0526315789474], [-0.421052631579, 0.368421052632, 0.0526315789474], [-0.368421052632, 0.368421052632, 0.0526315789474], [-0.315789473684, 0.368421052632, 0.0526315789474], [-0.263157894737, 0.368421052632, 0.0526315789474], [-0.210526315789, 0.368421052632, 0.0526315789474], [-0.157894736842, 0.368421052632, 0.0526315789474], [-0.105263157895, 0.368421052632, 0.0526315789474], [-0.0526315789474, 0.368421052632, 0.0526315789474], [0.421052631579, 0.421052631579, 0.0526315789474], [0.473684210526, 0.421052631579, 0.0526315789474], [-0.473684210526, 0.421052631579, 0.0526315789474], [-0.421052631579, 0.421052631579, 0.0526315789474], [-0.368421052632, 0.421052631579, 0.0526315789474], [-0.315789473684, 0.421052631579, 0.0526315789474], [-0.263157894737, 0.421052631579, 0.0526315789474], [-0.210526315789, 0.421052631579, 0.0526315789474], [-0.157894736842, 0.421052631579, 0.0526315789474], [-0.105263157895, 0.421052631579, 0.0526315789474], [-0.0526315789474, 0.421052631579, 0.0526315789474], [0.473684210526, 0.473684210526, 0.0526315789474], [-0.473684210526, 0.473684210526, 0.0526315789474], [-0.421052631579, 0.473684210526, 0.0526315789474], [-0.368421052632, 0.473684210526, 0.0526315789474], [-0.315789473684, 0.473684210526, 0.0526315789474], [-0.263157894737, 0.473684210526, 0.0526315789474], [-0.210526315789, 0.473684210526, 0.0526315789474], [-0.157894736842, 0.473684210526, 0.0526315789474], [-0.105263157895, 0.473684210526, 0.0526315789474], [-0.0526315789474, 0.473684210526, 0.0526315789474], [-0.473684210526, -0.473684210526, 0.0526315789474], [-0.421052631579, -0.473684210526, 0.0526315789474], [-0.368421052632, -0.473684210526, 0.0526315789474], [-0.315789473684, -0.473684210526, 0.0526315789474], [-0.263157894737, -0.473684210526, 0.0526315789474], [-0.210526315789, -0.473684210526, 0.0526315789474], [-0.157894736842, -0.473684210526, 0.0526315789474], [-0.105263157895, -0.473684210526, 0.0526315789474], [-0.421052631579, -0.421052631579, 0.0526315789474], [-0.368421052632, -0.421052631579, 0.0526315789474], [-0.315789473684, -0.421052631579, 0.0526315789474], [-0.263157894737, -0.421052631579, 0.0526315789474], [-0.210526315789, -0.421052631579, 0.0526315789474], [-0.157894736842, -0.421052631579, 0.0526315789474], [-0.105263157895, -0.421052631579, 0.0526315789474], [-0.368421052632, -0.368421052632, 0.0526315789474], [-0.315789473684, -0.368421052632, 0.0526315789474], [-0.263157894737, -0.368421052632, 0.0526315789474], [-0.210526315789, -0.368421052632, 0.0526315789474], [-0.157894736842, -0.368421052632, 0.0526315789474], [-0.105263157895, -0.368421052632, 0.0526315789474], [-0.315789473684, -0.315789473684, 0.0526315789474], [-0.263157894737, -0.315789473684, 0.0526315789474], [-0.210526315789, -0.315789473684, 0.0526315789474], [-0.157894736842, -0.315789473684, 0.0526315789474], [-0.105263157895, -0.315789473684, 0.0526315789474], [-0.263157894737, -0.263157894737, 0.0526315789474], [-0.210526315789, -0.263157894737, 0.0526315789474], [-0.157894736842, -0.263157894737, 0.0526315789474], [-0.105263157895, -0.263157894737, 0.0526315789474], [-0.210526315789, -0.210526315789, 0.0526315789474], [-0.157894736842, -0.210526315789, 0.0526315789474], [-0.105263157895, -0.210526315789, 0.0526315789474], [-0.157894736842, -0.157894736842, 0.0526315789474], [-0.105263157895, -0.157894736842, 0.0526315789474], [-0.105263157895, -0.105263157895, 0.0526315789474], [0.105263157895, 0.105263157895, 0.105263157895], [0.157894736842, 0.105263157895, 0.105263157895], [0.210526315789, 0.105263157895, 0.105263157895], [0.263157894737, 0.105263157895, 0.105263157895], [0.315789473684, 0.105263157895, 0.105263157895], [0.368421052632, 0.105263157895, 0.105263157895], [0.421052631579, 0.105263157895, 0.105263157895], [0.473684210526, 0.105263157895, 0.105263157895], [-0.473684210526, 0.105263157895, 0.105263157895], [-0.421052631579, 0.105263157895, 0.105263157895], [-0.368421052632, 0.105263157895, 0.105263157895], [-0.315789473684, 0.105263157895, 0.105263157895], [-0.263157894737, 0.105263157895, 0.105263157895], [-0.210526315789, 0.105263157895, 0.105263157895], [-0.157894736842, 0.105263157895, 0.105263157895], [-0.105263157895, 0.105263157895, 0.105263157895], [0.157894736842, 0.157894736842, 0.105263157895], [0.210526315789, 0.157894736842, 0.105263157895], [0.263157894737, 0.157894736842, 0.105263157895], [0.315789473684, 0.157894736842, 0.105263157895], [0.368421052632, 0.157894736842, 0.105263157895], [0.421052631579, 0.157894736842, 0.105263157895], [0.473684210526, 0.157894736842, 0.105263157895], [-0.473684210526, 0.157894736842, 0.105263157895], [-0.421052631579, 0.157894736842, 0.105263157895], [-0.368421052632, 0.157894736842, 0.105263157895], [-0.315789473684, 0.157894736842, 0.105263157895], [-0.263157894737, 0.157894736842, 0.105263157895], [-0.210526315789, 0.157894736842, 0.105263157895], [-0.157894736842, 0.157894736842, 0.105263157895], [-0.105263157895, 0.157894736842, 0.105263157895], [0.210526315789, 0.210526315789, 0.105263157895], [0.263157894737, 0.210526315789, 0.105263157895], [0.315789473684, 0.210526315789, 0.105263157895], [0.368421052632, 0.210526315789, 0.105263157895], [0.421052631579, 0.210526315789, 0.105263157895], [0.473684210526, 0.210526315789, 0.105263157895], [-0.473684210526, 0.210526315789, 0.105263157895], [-0.421052631579, 0.210526315789, 0.105263157895], [-0.368421052632, 0.210526315789, 0.105263157895], [-0.315789473684, 0.210526315789, 0.105263157895], [-0.263157894737, 0.210526315789, 0.105263157895], [-0.210526315789, 0.210526315789, 0.105263157895], [-0.157894736842, 0.210526315789, 0.105263157895], [-0.105263157895, 0.210526315789, 0.105263157895], [0.263157894737, 0.263157894737, 0.105263157895], [0.315789473684, 0.263157894737, 0.105263157895], [0.368421052632, 0.263157894737, 0.105263157895], [0.421052631579, 0.263157894737, 0.105263157895], [0.473684210526, 0.263157894737, 0.105263157895], [-0.473684210526, 0.263157894737, 0.105263157895], [-0.421052631579, 0.263157894737, 0.105263157895], [-0.368421052632, 0.263157894737, 0.105263157895], [-0.315789473684, 0.263157894737, 0.105263157895], [-0.263157894737, 0.263157894737, 0.105263157895], [-0.210526315789, 0.263157894737, 0.105263157895], [-0.157894736842, 0.263157894737, 0.105263157895], [-0.105263157895, 0.263157894737, 0.105263157895], [0.315789473684, 0.315789473684, 0.105263157895], [0.368421052632, 0.315789473684, 0.105263157895], [0.421052631579, 0.315789473684, 0.105263157895], [0.473684210526, 0.315789473684, 0.105263157895], [-0.473684210526, 0.315789473684, 0.105263157895], [-0.421052631579, 0.315789473684, 0.105263157895], [-0.368421052632, 0.315789473684, 0.105263157895], [-0.315789473684, 0.315789473684, 0.105263157895], [-0.263157894737, 0.315789473684, 0.105263157895], [-0.210526315789, 0.315789473684, 0.105263157895], [-0.157894736842, 0.315789473684, 0.105263157895], [-0.105263157895, 0.315789473684, 0.105263157895], [0.368421052632, 0.368421052632, 0.105263157895], [0.421052631579, 0.368421052632, 0.105263157895], [0.473684210526, 0.368421052632, 0.105263157895], [-0.473684210526, 0.368421052632, 0.105263157895], [-0.421052631579, 0.368421052632, 0.105263157895], [-0.368421052632, 0.368421052632, 0.105263157895], [-0.315789473684, 0.368421052632, 0.105263157895], [-0.263157894737, 0.368421052632, 0.105263157895], [-0.210526315789, 0.368421052632, 0.105263157895], [-0.157894736842, 0.368421052632, 0.105263157895], [-0.105263157895, 0.368421052632, 0.105263157895], [0.421052631579, 0.421052631579, 0.105263157895], [0.473684210526, 0.421052631579, 0.105263157895], [-0.473684210526, 0.421052631579, 0.105263157895], [-0.421052631579, 0.421052631579, 0.105263157895], [-0.368421052632, 0.421052631579, 0.105263157895], [-0.315789473684, 0.421052631579, 0.105263157895], [-0.263157894737, 0.421052631579, 0.105263157895], [-0.210526315789, 0.421052631579, 0.105263157895], [-0.157894736842, 0.421052631579, 0.105263157895], [-0.105263157895, 0.421052631579, 0.105263157895], [0.473684210526, 0.473684210526, 0.105263157895], [-0.473684210526, 0.473684210526, 0.105263157895], [-0.421052631579, 0.473684210526, 0.105263157895], [-0.368421052632, 0.473684210526, 0.105263157895], [-0.315789473684, 0.473684210526, 0.105263157895], [-0.263157894737, 0.473684210526, 0.105263157895], [-0.210526315789, 0.473684210526, 0.105263157895], [-0.157894736842, 0.473684210526, 0.105263157895], [-0.105263157895, 0.473684210526, 0.105263157895], [-0.473684210526, -0.473684210526, 0.105263157895], [-0.421052631579, -0.473684210526, 0.105263157895], [-0.368421052632, -0.473684210526, 0.105263157895], [-0.315789473684, -0.473684210526, 0.105263157895], [-0.263157894737, -0.473684210526, 0.105263157895], [-0.210526315789, -0.473684210526, 0.105263157895], [-0.157894736842, -0.473684210526, 0.105263157895], [-0.421052631579, -0.421052631579, 0.105263157895], [-0.368421052632, -0.421052631579, 0.105263157895], [-0.315789473684, -0.421052631579, 0.105263157895], [-0.263157894737, -0.421052631579, 0.105263157895], [-0.210526315789, -0.421052631579, 0.105263157895], [-0.157894736842, -0.421052631579, 0.105263157895], [-0.368421052632, -0.368421052632, 0.105263157895], [-0.315789473684, -0.368421052632, 0.105263157895], [-0.263157894737, -0.368421052632, 0.105263157895], [-0.210526315789, -0.368421052632, 0.105263157895], [-0.157894736842, -0.368421052632, 0.105263157895], [-0.315789473684, -0.315789473684, 0.105263157895], [-0.263157894737, -0.315789473684, 0.105263157895], [-0.210526315789, -0.315789473684, 0.105263157895], [-0.157894736842, -0.315789473684, 0.105263157895], [-0.263157894737, -0.263157894737, 0.105263157895], [-0.210526315789, -0.263157894737, 0.105263157895], [-0.157894736842, -0.263157894737, 0.105263157895], [-0.210526315789, -0.210526315789, 0.105263157895], [-0.157894736842, -0.210526315789, 0.105263157895], [-0.157894736842, -0.157894736842, 0.105263157895], [0.157894736842, 0.157894736842, 0.157894736842], [0.210526315789, 0.157894736842, 0.157894736842], [0.263157894737, 0.157894736842, 0.157894736842], [0.315789473684, 0.157894736842, 0.157894736842], [0.368421052632, 0.157894736842, 0.157894736842], [0.421052631579, 0.157894736842, 0.157894736842], [0.473684210526, 0.157894736842, 0.157894736842], [-0.473684210526, 0.157894736842, 0.157894736842], [-0.421052631579, 0.157894736842, 0.157894736842], [-0.368421052632, 0.157894736842, 0.157894736842], [-0.315789473684, 0.157894736842, 0.157894736842], [-0.263157894737, 0.157894736842, 0.157894736842], [-0.210526315789, 0.157894736842, 0.157894736842], [-0.157894736842, 0.157894736842, 0.157894736842], [0.210526315789, 0.210526315789, 0.157894736842], [0.263157894737, 0.210526315789, 0.157894736842], [0.315789473684, 0.210526315789, 0.157894736842], [0.368421052632, 0.210526315789, 0.157894736842], [0.421052631579, 0.210526315789, 0.157894736842], [0.473684210526, 0.210526315789, 0.157894736842], [-0.473684210526, 0.210526315789, 0.157894736842], [-0.421052631579, 0.210526315789, 0.157894736842], [-0.368421052632, 0.210526315789, 0.157894736842], [-0.315789473684, 0.210526315789, 0.157894736842], [-0.263157894737, 0.210526315789, 0.157894736842], [-0.210526315789, 0.210526315789, 0.157894736842], [-0.157894736842, 0.210526315789, 0.157894736842], [0.263157894737, 0.263157894737, 0.157894736842], [0.315789473684, 0.263157894737, 0.157894736842], [0.368421052632, 0.263157894737, 0.157894736842], [0.421052631579, 0.263157894737, 0.157894736842], [0.473684210526, 0.263157894737, 0.157894736842], [-0.473684210526, 0.263157894737, 0.157894736842], [-0.421052631579, 0.263157894737, 0.157894736842], [-0.368421052632, 0.263157894737, 0.157894736842], [-0.315789473684, 0.263157894737, 0.157894736842], [-0.263157894737, 0.263157894737, 0.157894736842], [-0.210526315789, 0.263157894737, 0.157894736842], [-0.157894736842, 0.263157894737, 0.157894736842], [0.315789473684, 0.315789473684, 0.157894736842], [0.368421052632, 0.315789473684, 0.157894736842], [0.421052631579, 0.315789473684, 0.157894736842], [0.473684210526, 0.315789473684, 0.157894736842], [-0.473684210526, 0.315789473684, 0.157894736842], [-0.421052631579, 0.315789473684, 0.157894736842], [-0.368421052632, 0.315789473684, 0.157894736842], [-0.315789473684, 0.315789473684, 0.157894736842], [-0.263157894737, 0.315789473684, 0.157894736842], [-0.210526315789, 0.315789473684, 0.157894736842], [-0.157894736842, 0.315789473684, 0.157894736842], [0.368421052632, 0.368421052632, 0.157894736842], [0.421052631579, 0.368421052632, 0.157894736842], [0.473684210526, 0.368421052632, 0.157894736842], [-0.473684210526, 0.368421052632, 0.157894736842], [-0.421052631579, 0.368421052632, 0.157894736842], [-0.368421052632, 0.368421052632, 0.157894736842], [-0.315789473684, 0.368421052632, 0.157894736842], [-0.263157894737, 0.368421052632, 0.157894736842], [-0.210526315789, 0.368421052632, 0.157894736842], [-0.157894736842, 0.368421052632, 0.157894736842], [0.421052631579, 0.421052631579, 0.157894736842], [0.473684210526, 0.421052631579, 0.157894736842], [-0.473684210526, 0.421052631579, 0.157894736842], [-0.421052631579, 0.421052631579, 0.157894736842], [-0.368421052632, 0.421052631579, 0.157894736842], [-0.315789473684, 0.421052631579, 0.157894736842], [-0.263157894737, 0.421052631579, 0.157894736842], [-0.210526315789, 0.421052631579, 0.157894736842], [-0.157894736842, 0.421052631579, 0.157894736842], [0.473684210526, 0.473684210526, 0.157894736842], [-0.473684210526, 0.473684210526, 0.157894736842], [-0.421052631579, 0.473684210526, 0.157894736842], [-0.368421052632, 0.473684210526, 0.157894736842], [-0.315789473684, 0.473684210526, 0.157894736842], [-0.263157894737, 0.473684210526, 0.157894736842], [-0.210526315789, 0.473684210526, 0.157894736842], [-0.157894736842, 0.473684210526, 0.157894736842], [-0.473684210526, -0.473684210526, 0.157894736842], [-0.421052631579, -0.473684210526, 0.157894736842], [-0.368421052632, -0.473684210526, 0.157894736842], [-0.315789473684, -0.473684210526, 0.157894736842], [-0.263157894737, -0.473684210526, 0.157894736842], [-0.210526315789, -0.473684210526, 0.157894736842], [-0.421052631579, -0.421052631579, 0.157894736842], [-0.368421052632, -0.421052631579, 0.157894736842], [-0.315789473684, -0.421052631579, 0.157894736842], [-0.263157894737, -0.421052631579, 0.157894736842], [-0.210526315789, -0.421052631579, 0.157894736842], [-0.368421052632, -0.368421052632, 0.157894736842], [-0.315789473684, -0.368421052632, 0.157894736842], [-0.263157894737, -0.368421052632, 0.157894736842], [-0.210526315789, -0.368421052632, 0.157894736842], [-0.315789473684, -0.315789473684, 0.157894736842], [-0.263157894737, -0.315789473684, 0.157894736842], [-0.210526315789, -0.315789473684, 0.157894736842], [-0.263157894737, -0.263157894737, 0.157894736842], [-0.210526315789, -0.263157894737, 0.157894736842], [-0.210526315789, -0.210526315789, 0.157894736842], [0.210526315789, 0.210526315789, 0.210526315789], [0.263157894737, 0.210526315789, 0.210526315789], [0.315789473684, 0.210526315789, 0.210526315789], [0.368421052632, 0.210526315789, 0.210526315789], [0.421052631579, 0.210526315789, 0.210526315789], [0.473684210526, 0.210526315789, 0.210526315789], [-0.473684210526, 0.210526315789, 0.210526315789], [-0.421052631579, 0.210526315789, 0.210526315789], [-0.368421052632, 0.210526315789, 0.210526315789], [-0.315789473684, 0.210526315789, 0.210526315789], [-0.263157894737, 0.210526315789, 0.210526315789], [-0.210526315789, 0.210526315789, 0.210526315789], [0.263157894737, 0.263157894737, 0.210526315789], [0.315789473684, 0.263157894737, 0.210526315789], [0.368421052632, 0.263157894737, 0.210526315789], [0.421052631579, 0.263157894737, 0.210526315789], [0.473684210526, 0.263157894737, 0.210526315789], [-0.473684210526, 0.263157894737, 0.210526315789], [-0.421052631579, 0.263157894737, 0.210526315789], [-0.368421052632, 0.263157894737, 0.210526315789], [-0.315789473684, 0.263157894737, 0.210526315789], [-0.263157894737, 0.263157894737, 0.210526315789], [-0.210526315789, 0.263157894737, 0.210526315789], [0.315789473684, 0.315789473684, 0.210526315789], [0.368421052632, 0.315789473684, 0.210526315789], [0.421052631579, 0.315789473684, 0.210526315789], [0.473684210526, 0.315789473684, 0.210526315789], [-0.473684210526, 0.315789473684, 0.210526315789], [-0.421052631579, 0.315789473684, 0.210526315789], [-0.368421052632, 0.315789473684, 0.210526315789], [-0.315789473684, 0.315789473684, 0.210526315789], [-0.263157894737, 0.315789473684, 0.210526315789], [-0.210526315789, 0.315789473684, 0.210526315789], [0.368421052632, 0.368421052632, 0.210526315789], [0.421052631579, 0.368421052632, 0.210526315789], [0.473684210526, 0.368421052632, 0.210526315789], [-0.473684210526, 0.368421052632, 0.210526315789], [-0.421052631579, 0.368421052632, 0.210526315789], [-0.368421052632, 0.368421052632, 0.210526315789], [-0.315789473684, 0.368421052632, 0.210526315789], [-0.263157894737, 0.368421052632, 0.210526315789], [-0.210526315789, 0.368421052632, 0.210526315789], [0.421052631579, 0.421052631579, 0.210526315789], [0.473684210526, 0.421052631579, 0.210526315789], [-0.473684210526, 0.421052631579, 0.210526315789], [-0.421052631579, 0.421052631579, 0.210526315789], [-0.368421052632, 0.421052631579, 0.210526315789], [-0.315789473684, 0.421052631579, 0.210526315789], [-0.263157894737, 0.421052631579, 0.210526315789], [-0.210526315789, 0.421052631579, 0.210526315789], [0.473684210526, 0.473684210526, 0.210526315789], [-0.473684210526, 0.473684210526, 0.210526315789], [-0.421052631579, 0.473684210526, 0.210526315789], [-0.368421052632, 0.473684210526, 0.210526315789], [-0.315789473684, 0.473684210526, 0.210526315789], [-0.263157894737, 0.473684210526, 0.210526315789], [-0.210526315789, 0.473684210526, 0.210526315789], [-0.473684210526, -0.473684210526, 0.210526315789], [-0.421052631579, -0.473684210526, 0.210526315789], [-0.368421052632, -0.473684210526, 0.210526315789], [-0.315789473684, -0.473684210526, 0.210526315789], [-0.263157894737, -0.473684210526, 0.210526315789], [-0.421052631579, -0.421052631579, 0.210526315789], [-0.368421052632, -0.421052631579, 0.210526315789], [-0.315789473684, -0.421052631579, 0.210526315789], [-0.263157894737, -0.421052631579, 0.210526315789], [-0.368421052632, -0.368421052632, 0.210526315789], [-0.315789473684, -0.368421052632, 0.210526315789], [-0.263157894737, -0.368421052632, 0.210526315789], [-0.315789473684, -0.315789473684, 0.210526315789], [-0.263157894737, -0.315789473684, 0.210526315789], [-0.263157894737, -0.263157894737, 0.210526315789], [0.263157894737, 0.263157894737, 0.263157894737], [0.315789473684, 0.263157894737, 0.263157894737], [0.368421052632, 0.263157894737, 0.263157894737], [0.421052631579, 0.263157894737, 0.263157894737], [0.473684210526, 0.263157894737, 0.263157894737], [-0.473684210526, 0.263157894737, 0.263157894737], [-0.421052631579, 0.263157894737, 0.263157894737], [-0.368421052632, 0.263157894737, 0.263157894737], [-0.315789473684, 0.263157894737, 0.263157894737], [-0.263157894737, 0.263157894737, 0.263157894737], [0.315789473684, 0.315789473684, 0.263157894737], [0.368421052632, 0.315789473684, 0.263157894737], [0.421052631579, 0.315789473684, 0.263157894737], [0.473684210526, 0.315789473684, 0.263157894737], [-0.473684210526, 0.315789473684, 0.263157894737], [-0.421052631579, 0.315789473684, 0.263157894737], [-0.368421052632, 0.315789473684, 0.263157894737], [-0.315789473684, 0.315789473684, 0.263157894737], [-0.263157894737, 0.315789473684, 0.263157894737], [0.368421052632, 0.368421052632, 0.263157894737], [0.421052631579, 0.368421052632, 0.263157894737], [0.473684210526, 0.368421052632, 0.263157894737], [-0.473684210526, 0.368421052632, 0.263157894737], [-0.421052631579, 0.368421052632, 0.263157894737], [-0.368421052632, 0.368421052632, 0.263157894737], [-0.315789473684, 0.368421052632, 0.263157894737], [-0.263157894737, 0.368421052632, 0.263157894737], [0.421052631579, 0.421052631579, 0.263157894737], [0.473684210526, 0.421052631579, 0.263157894737], [-0.473684210526, 0.421052631579, 0.263157894737], [-0.421052631579, 0.421052631579, 0.263157894737], [-0.368421052632, 0.421052631579, 0.263157894737], [-0.315789473684, 0.421052631579, 0.263157894737], [-0.263157894737, 0.421052631579, 0.263157894737], [0.473684210526, 0.473684210526, 0.263157894737], [-0.473684210526, 0.473684210526, 0.263157894737], [-0.421052631579, 0.473684210526, 0.263157894737], [-0.368421052632, 0.473684210526, 0.263157894737], [-0.315789473684, 0.473684210526, 0.263157894737], [-0.263157894737, 0.473684210526, 0.263157894737], [-0.473684210526, -0.473684210526, 0.263157894737], [-0.421052631579, -0.473684210526, 0.263157894737], [-0.368421052632, -0.473684210526, 0.263157894737], [-0.315789473684, -0.473684210526, 0.263157894737], [-0.421052631579, -0.421052631579, 0.263157894737], [-0.368421052632, -0.421052631579, 0.263157894737], [-0.315789473684, -0.421052631579, 0.263157894737], [-0.368421052632, -0.368421052632, 0.263157894737], [-0.315789473684, -0.368421052632, 0.263157894737], [-0.315789473684, -0.315789473684, 0.263157894737], [0.315789473684, 0.315789473684, 0.315789473684], [0.368421052632, 0.315789473684, 0.315789473684], [0.421052631579, 0.315789473684, 0.315789473684], [0.473684210526, 0.315789473684, 0.315789473684], [-0.473684210526, 0.315789473684, 0.315789473684], [-0.421052631579, 0.315789473684, 0.315789473684], [-0.368421052632, 0.315789473684, 0.315789473684], [-0.315789473684, 0.315789473684, 0.315789473684], [0.368421052632, 0.368421052632, 0.315789473684], [0.421052631579, 0.368421052632, 0.315789473684], [0.473684210526, 0.368421052632, 0.315789473684], [-0.473684210526, 0.368421052632, 0.315789473684], [-0.421052631579, 0.368421052632, 0.315789473684], [-0.368421052632, 0.368421052632, 0.315789473684], [-0.315789473684, 0.368421052632, 0.315789473684], [0.421052631579, 0.421052631579, 0.315789473684], [0.473684210526, 0.421052631579, 0.315789473684], [-0.473684210526, 0.421052631579, 0.315789473684], [-0.421052631579, 0.421052631579, 0.315789473684], [-0.368421052632, 0.421052631579, 0.315789473684], [-0.315789473684, 0.421052631579, 0.315789473684], [0.473684210526, 0.473684210526, 0.315789473684], [-0.473684210526, 0.473684210526, 0.315789473684], [-0.421052631579, 0.473684210526, 0.315789473684], [-0.368421052632, 0.473684210526, 0.315789473684], [-0.315789473684, 0.473684210526, 0.315789473684], [-0.473684210526, -0.473684210526, 0.315789473684], [-0.421052631579, -0.473684210526, 0.315789473684], [-0.368421052632, -0.473684210526, 0.315789473684], [-0.421052631579, -0.421052631579, 0.315789473684], [-0.368421052632, -0.421052631579, 0.315789473684], [-0.368421052632, -0.368421052632, 0.315789473684], [0.368421052632, 0.368421052632, 0.368421052632], [0.421052631579, 0.368421052632, 0.368421052632], [0.473684210526, 0.368421052632, 0.368421052632], [-0.473684210526, 0.368421052632, 0.368421052632], [-0.421052631579, 0.368421052632, 0.368421052632], [-0.368421052632, 0.368421052632, 0.368421052632], [0.421052631579, 0.421052631579, 0.368421052632], [0.473684210526, 0.421052631579, 0.368421052632], [-0.473684210526, 0.421052631579, 0.368421052632], [-0.421052631579, 0.421052631579, 0.368421052632], [-0.368421052632, 0.421052631579, 0.368421052632], [0.473684210526, 0.473684210526, 0.368421052632], [-0.473684210526, 0.473684210526, 0.368421052632], [-0.421052631579, 0.473684210526, 0.368421052632], [-0.368421052632, 0.473684210526, 0.368421052632], [-0.473684210526, -0.473684210526, 0.368421052632], [-0.421052631579, -0.473684210526, 0.368421052632], [-0.421052631579, -0.421052631579, 0.368421052632], [0.421052631579, 0.421052631579, 0.421052631579], [0.473684210526, 0.421052631579, 0.421052631579], [-0.473684210526, 0.421052631579, 0.421052631579], [-0.421052631579, 0.421052631579, 0.421052631579], [0.473684210526, 0.473684210526, 0.421052631579], [-0.473684210526, 0.473684210526, 0.421052631579], [-0.421052631579, 0.473684210526, 0.421052631579], [-0.473684210526, -0.473684210526, 0.421052631579], [0.473684210526, 0.473684210526, 0.473684210526], [-0.473684210526, 0.473684210526, 0.473684210526]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 6.0, 6.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 12.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 12.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 12.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 12.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 12.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 6.0, 12.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 6.0, 2.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 6.0, 2.0, 6.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.00015000000000000001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[7, 7, 7]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.5505, -2.685545, 0.0], [-3.101, -0.0, 0.0], [-1.5505, -0.895182, -7.5883]], "a": 3.1010001930062825, "b": 3.101, "c": 7.79664658382846, "alpha": 78.52925577766337, "beta": 78.52925337180866, "gamma": 60.000002058882934, "volume": 63.194414203973494}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.778, 0.778, 0.666], "xyz": [-4.6515, -2.685545222, -5.0538078], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222, 0.222, 0.334], "xyz": [-1.5505, -0.895181778, -2.5344922000000003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Fast", "EDIFF": 0.00015, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6], "NELM": 100, "NPAR": 2, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 4]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": 0.0018592}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}]}, "nsites": 3, "elements": ["Li"], "nelements": 1, "composition": {"Li": 3.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 60.33455343202653, "density": 0.5730945612927296, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "R-3m", "number": 166, "point_group": "-3m", "crystal_system": "trigonal", "hall": "-R 3 2\""}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555dd"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:43:58.518000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2014-12-22 16:24:28"}, "task_ids": ["mp-977828", "mp-978128", "mp-1441635", "mp-1180638", "mp-567337", "mp-914336"], "deprecated_tasks": [], "task_id": "mp-567337", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-977828", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-02-02 03:25:54"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-977828", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-02-02 03:25:54"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1441635", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:43:58.518000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1441635", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:43:58.518000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1441635", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:43:58.518000"}}], "task_types": {"mp-914336": "GGA Static", "mp-978128": "GGA NSCF Line", "mp-977828": "GGA NSCF Uniform", "mp-567337": "GGA Structure Optimization", "mp-1180638": "GGA Structure Optimization", "mp-1441635": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-978128", "cbm": null, "dos_task": "mp-977828", "efermi": -0.21048554, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-977828", "vbm": null}, "energy": -15.18856493, "energy_per_atom": -1.89857061625, "entries": {"gga": {"composition": {"Li": 8.0}, "energy": -15.18856493, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "run_type": "GGA", "task_id": "mp-1441635"}, "entry_id": "mp-567337"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 0.0], "xyz": [-0.04096643389999999, 0.04096643389999999, 3.4714164339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.011942], "xyz": [-1.6742585661, 1.7561914339, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.511942], "xyz": [0.04096643389999999, 3.4714164339, -0.04096643389999999], "label": "Li", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[5.732663, 0.0, -2.026803], [-2.866332, 4.964632, -2.026803], [0.0, 0.0, 6.080408]], "a": 6.080407508742979, "b": 6.080407916452399, "c": 6.080408, "alpha": 109.471224244372, "beta": 109.47122560267226, "gamma": 109.47121901951675, "volume": 173.0518299334647}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.39, 0.5, 0.0], "xyz": [0.8025725700000002, 2.482316, -1.8038546700000002], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.39, 0.5], "xyz": [-1.11786948, 1.93620648, 2.24975083], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.89], "xyz": [2.8663315, 0.0, 4.39816162], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.89, 0.5], "xyz": [-2.55103548, 4.41852248, 1.23634933], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.89, 0.5, 0.0], "xyz": [3.66890407, 2.482316, -2.8172561700000003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.39], "xyz": [2.8663315, 0.0, 1.35795762], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.11, 0.11, 0.11], "xyz": [0.31529640999999997, 0.54610952, 0.22294822000000003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.61, 0.61, 0.61], "xyz": [1.7484619099999996, 3.02842552, 1.2363492200000001], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [1.673593913768, 5.101431913768, -1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.04032508623199993, 3.387512913768, 0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.754244086232, 1.754244086232, 1.754244086232], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li8"}, "incar": {"ALGO": "Normal", "EDIFF": 8e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LDAU": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 29, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 136, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0178571428571, -0.0178571428571, 0.0178571428571], [0.0357142857143, -0.0357142857143, 0.0357142857143], [0.0535714285714, -0.0535714285714, 0.0535714285714], [0.0714285714286, -0.0714285714286, 0.0714285714286], [0.0892857142857, -0.0892857142857, 0.0892857142857], [0.107142857143, -0.107142857143, 0.107142857143], [0.125, -0.125, 0.125], [0.142857142857, -0.142857142857, 0.142857142857], [0.160714285714, -0.160714285714, 0.160714285714], [0.178571428571, -0.178571428571, 0.178571428571], [0.196428571429, -0.196428571429, 0.196428571429], [0.214285714286, -0.214285714286, 0.214285714286], [0.232142857143, -0.232142857143, 0.232142857143], [0.25, -0.25, 0.25], [0.267857142857, -0.267857142857, 0.267857142857], [0.285714285714, -0.285714285714, 0.285714285714], [0.303571428571, -0.303571428571, 0.303571428571], [0.321428571429, -0.321428571429, 0.321428571429], [0.339285714286, -0.339285714286, 0.339285714286], [0.357142857143, -0.357142857143, 0.357142857143], [0.375, -0.375, 0.375], [0.392857142857, -0.392857142857, 0.392857142857], [0.410714285714, -0.410714285714, 0.410714285714], [0.428571428571, -0.428571428571, 0.428571428571], [0.446428571429, -0.446428571429, 0.446428571429], [0.464285714286, -0.464285714286, 0.464285714286], [0.482142857143, -0.482142857143, 0.482142857143], [0.5, -0.5, 0.5], [0.5, -0.5, 0.5], [0.475, -0.475, 0.5], [0.45, -0.45, 0.5], [0.425, -0.425, 0.5], [0.4, -0.4, 0.5], [0.375, -0.375, 0.5], [0.35, -0.35, 0.5], [0.325, -0.325, 0.5], [0.3, -0.3, 0.5], [0.275, -0.275, 0.5], [0.25, -0.25, 0.5], [0.225, -0.225, 0.5], [0.2, -0.2, 0.5], [0.175, -0.175, 0.5], [0.15, -0.15, 0.5], [0.125, -0.125, 0.5], [0.1, -0.1, 0.5], [0.075, -0.075, 0.5], [0.05, -0.05, 0.5], [0.025, -0.025, 0.5], [2.77555756156e-17, 2.77555756156e-17, 0.5], [2.77555756156e-17, 2.77555756156e-17, 0.5], [5.41233724505e-17, -1.38777878078e-18, 0.475], [-2.77555756156e-18, 5.27355936697e-17, 0.45], [-4.16333634234e-18, 5.13478148889e-17, 0.425], [4.99600361081e-17, -5.55111512313e-18, 0.4], [4.85722573274e-17, -6.93889390391e-18, 0.375], [4.71844785466e-17, -8.32667268469e-18, 0.35], [1.80411241502e-17, 1.80411241502e-17, 0.325], [1.66533453694e-17, 1.66533453694e-17, 0.3], [4.30211422042e-17, -1.2490009027e-17, 0.275], [1.38777878078e-17, 1.38777878078e-17, 0.25], [1.2490009027e-17, 1.2490009027e-17, 0.225], [2.49800180541e-17, -2.77555756156e-18, 0.2], [2.35922392733e-17, -4.16333634234e-18, 0.175], [2.22044604925e-17, -5.55111512313e-18, 0.15], [-6.93889390391e-18, 2.08166817117e-17, 0.125], [2.63677968348e-17, -1.52655665886e-17, 0.1], [-2.77555756156e-18, 1.11022302463e-17, 0.075], [-4.16333634234e-18, 9.71445146547e-18, 0.05], [-3.46944695195e-19, 3.12250225676e-18, 0.025], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0104166666667, 0.0104166666667, 0.0104166666667], [0.0208333333333, 0.0208333333333, 0.0208333333333], [0.03125, 0.03125, 0.03125], [0.0416666666667, 0.0416666666667, 0.0416666666667], [0.0520833333333, 0.0520833333333, 0.0520833333333], [0.0625, 0.0625, 0.0625], [0.0729166666667, 0.0729166666667, 0.0729166666667], [0.0833333333333, 0.0833333333333, 0.0833333333333], [0.09375, 0.09375, 0.09375], [0.104166666667, 0.104166666667, 0.104166666667], [0.114583333333, 0.114583333333, 0.114583333333], [0.125, 0.125, 0.125], [0.135416666667, 0.135416666667, 0.135416666667], [0.145833333333, 0.145833333333, 0.145833333333], [0.15625, 0.15625, 0.15625], [0.166666666667, 0.166666666667, 0.166666666667], [0.177083333333, 0.177083333333, 0.177083333333], [0.1875, 0.1875, 0.1875], [0.197916666667, 0.197916666667, 0.197916666667], [0.208333333333, 0.208333333333, 0.208333333333], [0.21875, 0.21875, 0.21875], [0.229166666667, 0.229166666667, 0.229166666667], [0.239583333333, 0.239583333333, 0.239583333333], [0.25, 0.25, 0.25], [0.25, 0.25, 0.25], [0.260416666667, 0.21875, 0.260416666667], [0.270833333333, 0.1875, 0.270833333333], [0.28125, 0.15625, 0.28125], [0.291666666667, 0.125, 0.291666666667], [0.302083333333, 0.09375, 0.302083333333], [0.3125, 0.0625, 0.3125], [0.322916666667, 0.03125, 0.322916666667], [0.333333333333, 5.55111512313e-17, 0.333333333333], [0.34375, -0.03125, 0.34375], [0.354166666667, -0.0625, 0.354166666667], [0.364583333333, -0.09375, 0.364583333333], [0.375, -0.125, 0.375], [0.385416666667, -0.15625, 0.385416666667], [0.395833333333, -0.1875, 0.395833333333], [0.40625, -0.21875, 0.40625], [0.416666666667, -0.25, 0.416666666667], [0.427083333333, -0.28125, 0.427083333333], [0.4375, -0.3125, 0.4375], [0.447916666667, -0.34375, 0.447916666667], [0.458333333333, -0.375, 0.458333333333], [0.46875, -0.40625, 0.46875], [0.479166666667, -0.4375, 0.479166666667], [0.489583333333, -0.46875, 0.489583333333], [0.5, -0.5, 0.5], [0.25, 0.25, 0.25], [0.232142857143, 0.232142857143, 0.267857142857], [0.214285714286, 0.214285714286, 0.285714285714], [0.196428571429, 0.196428571429, 0.303571428571], [0.178571428571, 0.178571428571, 0.321428571429], [0.160714285714, 0.160714285714, 0.339285714286], [0.142857142857, 0.142857142857, 0.357142857143], [0.125, 0.125, 0.375], [0.107142857143, 0.107142857143, 0.392857142857], [0.0892857142857, 0.0892857142857, 0.410714285714], [0.0714285714286, 0.0714285714286, 0.428571428571], [0.0535714285714, 0.0535714285714, 0.446428571429], [0.0357142857143, 0.0357142857143, 0.464285714286], [0.0178571428571, 0.0178571428571, 0.482142857143], [3.02845172172e-17, 3.02845172172e-17, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "N", "N", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "P", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, "N"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [1.673593913768, 5.101431913768, -1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.04032508623199993, 3.387512913768, 0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.754244086232, 1.754244086232, 1.754244086232], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li8"}, "incar": {"ALGO": "Normal", "EDIFF": 8e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LDAU": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 24, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 120, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0666666666667, 0.0, 0.0], [0.133333333333, 0.0, 0.0], [0.2, 0.0, 0.0], [0.266666666667, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.4, 0.0, 0.0], [0.466666666667, 0.0, 0.0], [0.0666666666667, 0.0666666666667, 0.0], [0.133333333333, 0.0666666666667, 0.0], [0.2, 0.0666666666667, 0.0], [0.266666666667, 0.0666666666667, 0.0], [0.333333333333, 0.0666666666667, 0.0], [0.4, 0.0666666666667, 0.0], [0.466666666667, 0.0666666666667, 0.0], [0.133333333333, 0.133333333333, 0.0], [0.2, 0.133333333333, 0.0], [0.266666666667, 0.133333333333, 0.0], [0.333333333333, 0.133333333333, 0.0], [0.4, 0.133333333333, 0.0], [0.2, 0.2, 0.0], [0.266666666667, 0.2, 0.0], [0.333333333333, 0.2, 0.0], [0.4, 0.2, 0.0], [0.266666666667, 0.266666666667, 0.0], [0.333333333333, 0.266666666667, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.0666666666667, 0.0666666666667, 0.0666666666667], [0.133333333333, 0.0666666666667, 0.0666666666667], [0.2, 0.0666666666667, 0.0666666666667], [0.266666666667, 0.0666666666667, 0.0666666666667], [0.333333333333, 0.0666666666667, 0.0666666666667], [0.4, 0.0666666666667, 0.0666666666667], [-0.0666666666667, 0.0666666666667, 0.0666666666667], [0.133333333333, 0.133333333333, 0.0666666666667], [0.2, 0.133333333333, 0.0666666666667], [0.266666666667, 0.133333333333, 0.0666666666667], [0.333333333333, 0.133333333333, 0.0666666666667], [0.4, 0.133333333333, 0.0666666666667], [-0.133333333333, 0.133333333333, 0.0666666666667], [0.2, 0.2, 0.0666666666667], [0.266666666667, 0.2, 0.0666666666667], [0.333333333333, 0.2, 0.0666666666667], [-0.2, 0.2, 0.0666666666667], [-0.133333333333, 0.2, 0.0666666666667], [0.266666666667, 0.266666666667, 0.0666666666667], [0.333333333333, 0.266666666667, 0.0666666666667], [-0.266666666667, 0.266666666667, 0.0666666666667], [-0.2, 0.266666666667, 0.0666666666667], [-0.333333333333, 0.333333333333, 0.0666666666667], [-0.266666666667, 0.333333333333, 0.0666666666667], [-0.2, 0.333333333333, 0.0666666666667], [-0.4, 0.4, 0.0666666666667], [-0.333333333333, 0.4, 0.0666666666667], [-0.266666666667, 0.4, 0.0666666666667], [-0.466666666667, 0.466666666667, 0.0666666666667], [-0.4, 0.466666666667, 0.0666666666667], [-0.333333333333, 0.466666666667, 0.0666666666667], [-0.266666666667, 0.466666666667, 0.0666666666667], [-0.466666666667, -0.466666666667, 0.0666666666667], [-0.4, -0.466666666667, 0.0666666666667], [-0.333333333333, -0.466666666667, 0.0666666666667], [-0.4, -0.4, 0.0666666666667], [-0.333333333333, -0.4, 0.0666666666667], [0.133333333333, 0.133333333333, 0.133333333333], [0.2, 0.133333333333, 0.133333333333], [0.266666666667, 0.133333333333, 0.133333333333], [0.333333333333, 0.133333333333, 0.133333333333], [-0.133333333333, 0.133333333333, 0.133333333333], [0.2, 0.2, 0.133333333333], [0.266666666667, 0.2, 0.133333333333], [0.333333333333, 0.2, 0.133333333333], [-0.2, 0.2, 0.133333333333], [0.266666666667, 0.266666666667, 0.133333333333], [-0.266666666667, 0.266666666667, 0.133333333333], [-0.2, 0.266666666667, 0.133333333333], [-0.333333333333, 0.333333333333, 0.133333333333], [-0.266666666667, 0.333333333333, 0.133333333333], [-0.4, 0.4, 0.133333333333], [-0.333333333333, 0.4, 0.133333333333], [-0.266666666667, 0.4, 0.133333333333], [-0.466666666667, 0.466666666667, 0.133333333333], [-0.4, 0.466666666667, 0.133333333333], [-0.333333333333, 0.466666666667, 0.133333333333], [-0.466666666667, -0.466666666667, 0.133333333333], [-0.4, -0.466666666667, 0.133333333333], [-0.333333333333, -0.466666666667, 0.133333333333], [-0.4, -0.4, 0.133333333333], [0.2, 0.2, 0.2], [0.266666666667, 0.2, 0.2], [-0.2, 0.2, 0.2], [0.266666666667, 0.266666666667, 0.2], [-0.266666666667, 0.266666666667, 0.2], [-0.333333333333, 0.333333333333, 0.2], [-0.266666666667, 0.333333333333, 0.2], [-0.4, 0.4, 0.2], [-0.333333333333, 0.4, 0.2], [-0.466666666667, 0.466666666667, 0.2], [-0.4, 0.466666666667, 0.2], [-0.333333333333, 0.466666666667, 0.2], [-0.466666666667, -0.466666666667, 0.2], [-0.4, -0.466666666667, 0.2], [-0.4, -0.4, 0.2], [-0.266666666667, 0.266666666667, 0.266666666667], [-0.333333333333, 0.333333333333, 0.266666666667], [-0.4, 0.4, 0.266666666667], [-0.333333333333, 0.4, 0.266666666667], [-0.466666666667, 0.466666666667, 0.266666666667], [-0.4, 0.466666666667, 0.266666666667], [-0.466666666667, -0.466666666667, 0.266666666667], [-0.4, -0.466666666667, 0.266666666667], [-0.333333333333, 0.333333333333, 0.333333333333], [-0.4, 0.4, 0.333333333333], [-0.466666666667, 0.466666666667, 0.333333333333], [-0.4, 0.466666666667, 0.333333333333], [-0.466666666667, -0.466666666667, 0.333333333333], [-0.4, 0.4, 0.4], [-0.466666666667, 0.466666666667, 0.4], [-0.466666666667, -0.466666666667, 0.4], [-0.466666666667, 0.466666666667, 0.466666666667]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 6.0, 8.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 8.0, 6.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0004, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 1.0], "xyz": [3.3894835661, 3.4714164339, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 1.0, 0.011942], "xyz": [1.7561914339, -1.6742585661, 5.104708566099999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 1.0, 0.511942], "xyz": [3.4714164339, 0.04096643389999999, 3.3894835661], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li8"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[5, 5, 5]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[5.364662, -0.0, -1.896695], [-2.682332, 4.645934, -1.896695], [0.0, 0.0, 5.690085]], "a": 5.690083505298406, "b": 5.690084323945032, "c": 5.690085, "alpha": 109.47122304129594, "beta": 109.47122595573873, "gamma": 109.47122246820832, "volume": 141.81891370328717}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [1.278055116232, 2.322967, -1.87438228002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [-1.309611046352, 2.268312232424, 1.9190077199799997], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [2.682331, 0.0, 4.67479934006], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [-2.650777046352, 4.591279232423999, 0.9706602199799998], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [3.9603861162319998, 2.322967, -2.82272978002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [2.682331, 0.0, 1.82975684006], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.03155493012, 0.054654767576, 0.022312719980000006], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.37271993012, 2.3776217675759996, 0.9706602199799998], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li8"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0004, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "KPAR": 8, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[4, 4, 4]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": 3.85e-05}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 0.0], "xyz": [-0.04096643389999999, 0.04096643389999999, 3.4714164339], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.011942], "xyz": [-1.6742585661, 1.7561914339, 1.6742585661], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.511942], "xyz": [0.04096643389999999, 3.4714164339, -0.04096643389999999], "label": "Li", "properties": {"magmom": -0.0}}]}, "nsites": 8, "elements": ["Li"], "nelements": 1, "composition": {"Li": 8.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 161.4779667952645, "density": 0.5710154372331621, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "I-43d", "number": 220, "point_group": "-43m", "crystal_system": "cubic", "hall": "I -4bd 2c 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054273f7551cd85263beb"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:19:20.358000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-27 17:03:05"}, "task_ids": ["mp-993759", "mp-8632", "mp-992112", "mp-1433453", "mp-990848"], "deprecated_tasks": [], "task_id": "mp-8632", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-992112", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-02-06 04:28:11"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-992112", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-02-06 04:28:11"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1433453", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:19:20.358000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1433453", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:19:20.358000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1433453", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:19:20.358000"}}], "task_types": {"mp-990848": "GGA Static", "mp-992112": "GGA NSCF Uniform", "mp-8632": "GGA Structure Optimization", "mp-993759": "GGA NSCF Line", "mp-1433453": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-993759", "cbm": null, "dos_task": "mp-992112", "efermi": 5.86367662, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-992112", "vbm": null}, "energy": -8.83670674, "energy_per_atom": -8.83670674, "entries": {"gga": {"composition": {"V": 1.0}, "energy": -8.83670674, "parameters": {"potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "run_type": "GGA", "task_id": "mp-1433453"}, "entry_id": "mp-8632"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 20, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: v", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 332, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.01, 0.0, 0.01], [0.02, 0.0, 0.02], [0.03, 0.0, 0.03], [0.04, 0.0, 0.04], [0.05, 0.0, 0.05], [0.06, 0.0, 0.06], [0.07, 0.0, 0.07], [0.08, 0.0, 0.08], [0.09, 0.0, 0.09], [0.1, 0.0, 0.1], [0.11, 0.0, 0.11], [0.12, 0.0, 0.12], [0.13, 0.0, 0.13], [0.14, 0.0, 0.14], [0.15, 0.0, 0.15], [0.16, 0.0, 0.16], [0.17, 0.0, 0.17], [0.18, 0.0, 0.18], [0.19, 0.0, 0.19], [0.2, 0.0, 0.2], [0.21, 0.0, 0.21], [0.22, 0.0, 0.22], [0.23, 0.0, 0.23], [0.24, 0.0, 0.24], [0.25, 0.0, 0.25], [0.26, 0.0, 0.26], [0.27, 0.0, 0.27], [0.28, 0.0, 0.28], [0.29, 0.0, 0.29], [0.3, 0.0, 0.3], [0.31, 0.0, 0.31], [0.32, 0.0, 0.32], [0.33, 0.0, 0.33], [0.34, 0.0, 0.34], [0.35, 0.0, 0.35], [0.36, 0.0, 0.36], [0.37, 0.0, 0.37], [0.38, 0.0, 0.38], [0.39, 0.0, 0.39], [0.4, 0.0, 0.4], [0.41, 0.0, 0.41], [0.42, 0.0, 0.42], [0.43, 0.0, 0.43], [0.44, 0.0, 0.44], [0.45, 0.0, 0.45], [0.46, 0.0, 0.46], [0.47, 0.0, 0.47], [0.48, 0.0, 0.48], [0.49, 0.0, 0.49], [0.5, 0.0, 0.5], [0.5, 0.0, 0.5], [0.5, 0.01, 0.51], [0.5, 0.02, 0.52], [0.5, 0.03, 0.53], [0.5, 0.04, 0.54], [0.5, 0.05, 0.55], [0.5, 0.06, 0.56], [0.5, 0.07, 0.57], [0.5, 0.08, 0.58], [0.5, 0.09, 0.59], [0.5, 0.1, 0.6], [0.5, 0.11, 0.61], [0.5, 0.12, 0.62], [0.5, 0.13, 0.63], [0.5, 0.14, 0.64], [0.5, 0.15, 0.65], [0.5, 0.16, 0.66], [0.5, 0.17, 0.67], [0.5, 0.18, 0.68], [0.5, 0.19, 0.69], [0.5, 0.2, 0.7], [0.5, 0.21, 0.71], [0.5, 0.22, 0.72], [0.5, 0.23, 0.73], [0.5, 0.24, 0.74], [0.5, 0.25, 0.75], [0.5, 0.25, 0.75], [0.493055555556, 0.256944444444, 0.75], [0.486111111111, 0.263888888889, 0.75], [0.479166666667, 0.270833333333, 0.75], [0.472222222222, 0.277777777778, 0.75], [0.465277777778, 0.284722222222, 0.75], [0.458333333333, 0.291666666667, 0.75], [0.451388888889, 0.298611111111, 0.75], [0.444444444444, 0.305555555556, 0.75], [0.4375, 0.3125, 0.75], [0.430555555556, 0.319444444444, 0.75], [0.423611111111, 0.326388888889, 0.75], [0.416666666667, 0.333333333333, 0.75], [0.409722222222, 0.340277777778, 0.75], [0.402777777778, 0.347222222222, 0.75], [0.395833333333, 0.354166666667, 0.75], [0.388888888889, 0.361111111111, 0.75], [0.381944444444, 0.368055555556, 0.75], [0.375, 0.375, 0.75], [0.375, 0.375, 0.75], [0.367924528302, 0.367924528302, 0.735849056604], [0.360849056604, 0.360849056604, 0.721698113208], [0.353773584906, 0.353773584906, 0.707547169811], [0.346698113208, 0.346698113208, 0.693396226415], [0.339622641509, 0.339622641509, 0.679245283019], [0.332547169811, 0.332547169811, 0.665094339623], [0.325471698113, 0.325471698113, 0.650943396226], [0.318396226415, 0.318396226415, 0.63679245283], [0.311320754717, 0.311320754717, 0.622641509434], [0.304245283019, 0.304245283019, 0.608490566038], [0.297169811321, 0.297169811321, 0.594339622642], [0.290094339623, 0.290094339623, 0.580188679245], [0.283018867925, 0.283018867925, 0.566037735849], [0.275943396226, 0.275943396226, 0.551886792453], [0.268867924528, 0.268867924528, 0.537735849057], [0.26179245283, 0.26179245283, 0.52358490566], [0.254716981132, 0.254716981132, 0.509433962264], [0.247641509434, 0.247641509434, 0.495283018868], [0.240566037736, 0.240566037736, 0.481132075472], [0.233490566038, 0.233490566038, 0.466981132075], [0.22641509434, 0.22641509434, 0.452830188679], [0.219339622642, 0.219339622642, 0.438679245283], [0.212264150943, 0.212264150943, 0.424528301887], [0.205188679245, 0.205188679245, 0.410377358491], [0.198113207547, 0.198113207547, 0.396226415094], [0.191037735849, 0.191037735849, 0.382075471698], [0.183962264151, 0.183962264151, 0.367924528302], [0.176886792453, 0.176886792453, 0.353773584906], [0.169811320755, 0.169811320755, 0.339622641509], [0.162735849057, 0.162735849057, 0.325471698113], [0.155660377358, 0.155660377358, 0.311320754717], [0.14858490566, 0.14858490566, 0.297169811321], [0.141509433962, 0.141509433962, 0.283018867925], [0.134433962264, 0.134433962264, 0.268867924528], [0.127358490566, 0.127358490566, 0.254716981132], [0.120283018868, 0.120283018868, 0.240566037736], [0.11320754717, 0.11320754717, 0.22641509434], [0.106132075472, 0.106132075472, 0.212264150943], [0.0990566037736, 0.0990566037736, 0.198113207547], [0.0919811320755, 0.0919811320755, 0.183962264151], [0.0849056603774, 0.0849056603774, 0.169811320755], [0.0778301886792, 0.0778301886792, 0.155660377358], [0.0707547169811, 0.0707547169811, 0.141509433962], [0.063679245283, 0.063679245283, 0.127358490566], [0.0566037735849, 0.0566037735849, 0.11320754717], [0.0495283018868, 0.0495283018868, 0.0990566037736], [0.0424528301887, 0.0424528301887, 0.0849056603774], [0.0353773584906, 0.0353773584906, 0.0707547169811], [0.0283018867925, 0.0283018867925, 0.0566037735849], [0.0212264150943, 0.0212264150943, 0.0424528301887], [0.0141509433962, 0.0141509433962, 0.0283018867925], [0.00707547169811, 0.00707547169811, 0.0141509433962], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0116279069767, 0.0116279069767, 0.0116279069767], [0.0232558139535, 0.0232558139535, 0.0232558139535], [0.0348837209302, 0.0348837209302, 0.0348837209302], [0.046511627907, 0.046511627907, 0.046511627907], [0.0581395348837, 0.0581395348837, 0.0581395348837], [0.0697674418605, 0.0697674418605, 0.0697674418605], [0.0813953488372, 0.0813953488372, 0.0813953488372], [0.093023255814, 0.093023255814, 0.093023255814], [0.104651162791, 0.104651162791, 0.104651162791], [0.116279069767, 0.116279069767, 0.116279069767], [0.127906976744, 0.127906976744, 0.127906976744], [0.139534883721, 0.139534883721, 0.139534883721], [0.151162790698, 0.151162790698, 0.151162790698], [0.162790697674, 0.162790697674, 0.162790697674], [0.174418604651, 0.174418604651, 0.174418604651], [0.186046511628, 0.186046511628, 0.186046511628], [0.197674418605, 0.197674418605, 0.197674418605], [0.209302325581, 0.209302325581, 0.209302325581], [0.220930232558, 0.220930232558, 0.220930232558], [0.232558139535, 0.232558139535, 0.232558139535], [0.244186046512, 0.244186046512, 0.244186046512], [0.255813953488, 0.255813953488, 0.255813953488], [0.267441860465, 0.267441860465, 0.267441860465], [0.279069767442, 0.279069767442, 0.279069767442], [0.290697674419, 0.290697674419, 0.290697674419], [0.302325581395, 0.302325581395, 0.302325581395], [0.313953488372, 0.313953488372, 0.313953488372], [0.325581395349, 0.325581395349, 0.325581395349], [0.337209302326, 0.337209302326, 0.337209302326], [0.348837209302, 0.348837209302, 0.348837209302], [0.360465116279, 0.360465116279, 0.360465116279], [0.372093023256, 0.372093023256, 0.372093023256], [0.383720930233, 0.383720930233, 0.383720930233], [0.395348837209, 0.395348837209, 0.395348837209], [0.406976744186, 0.406976744186, 0.406976744186], [0.418604651163, 0.418604651163, 0.418604651163], [0.43023255814, 0.43023255814, 0.43023255814], [0.441860465116, 0.441860465116, 0.441860465116], [0.453488372093, 0.453488372093, 0.453488372093], [0.46511627907, 0.46511627907, 0.46511627907], [0.476744186047, 0.476744186047, 0.476744186047], [0.488372093023, 0.488372093023, 0.488372093023], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.504032258065, 0.491935483871, 0.504032258065], [0.508064516129, 0.483870967742, 0.508064516129], [0.512096774194, 0.475806451613, 0.512096774194], [0.516129032258, 0.467741935484, 0.516129032258], [0.520161290323, 0.459677419355, 0.520161290323], [0.524193548387, 0.451612903226, 0.524193548387], [0.528225806452, 0.443548387097, 0.528225806452], [0.532258064516, 0.435483870968, 0.532258064516], [0.536290322581, 0.427419354839, 0.536290322581], [0.540322580645, 0.41935483871, 0.540322580645], [0.54435483871, 0.411290322581, 0.54435483871], [0.548387096774, 0.403225806452, 0.548387096774], [0.552419354839, 0.395161290323, 0.552419354839], [0.556451612903, 0.387096774194, 0.556451612903], [0.560483870968, 0.379032258065, 0.560483870968], [0.564516129032, 0.370967741935, 0.564516129032], [0.568548387097, 0.362903225806, 0.568548387097], [0.572580645161, 0.354838709677, 0.572580645161], [0.576612903226, 0.346774193548, 0.576612903226], [0.58064516129, 0.338709677419, 0.58064516129], [0.584677419355, 0.33064516129, 0.584677419355], [0.588709677419, 0.322580645161, 0.588709677419], [0.592741935484, 0.314516129032, 0.592741935484], [0.596774193548, 0.306451612903, 0.596774193548], [0.600806451613, 0.298387096774, 0.600806451613], [0.604838709677, 0.290322580645, 0.604838709677], [0.608870967742, 0.282258064516, 0.608870967742], [0.612903225806, 0.274193548387, 0.612903225806], [0.616935483871, 0.266129032258, 0.616935483871], [0.620967741935, 0.258064516129, 0.620967741935], [0.625, 0.25, 0.625], [0.625, 0.25, 0.625], [0.618055555556, 0.25, 0.631944444444], [0.611111111111, 0.25, 0.638888888889], [0.604166666667, 0.25, 0.645833333333], [0.597222222222, 0.25, 0.652777777778], [0.590277777778, 0.25, 0.659722222222], [0.583333333333, 0.25, 0.666666666667], [0.576388888889, 0.25, 0.673611111111], [0.569444444444, 0.25, 0.680555555556], [0.5625, 0.25, 0.6875], [0.555555555556, 0.25, 0.694444444444], [0.548611111111, 0.25, 0.701388888889], [0.541666666667, 0.25, 0.708333333333], [0.534722222222, 0.25, 0.715277777778], [0.527777777778, 0.25, 0.722222222222], [0.520833333333, 0.25, 0.729166666667], [0.513888888889, 0.25, 0.736111111111], [0.506944444444, 0.25, 0.743055555556], [0.5, 0.25, 0.75], [0.5, 0.25, 0.75], [0.5, 0.257142857143, 0.742857142857], [0.5, 0.264285714286, 0.735714285714], [0.5, 0.271428571429, 0.728571428571], [0.5, 0.278571428571, 0.721428571429], [0.5, 0.285714285714, 0.714285714286], [0.5, 0.292857142857, 0.707142857143], [0.5, 0.3, 0.7], [0.5, 0.307142857143, 0.692857142857], [0.5, 0.314285714286, 0.685714285714], [0.5, 0.321428571429, 0.678571428571], [0.5, 0.328571428571, 0.671428571429], [0.5, 0.335714285714, 0.664285714286], [0.5, 0.342857142857, 0.657142857143], [0.5, 0.35, 0.65], [0.5, 0.357142857143, 0.642857142857], [0.5, 0.364285714286, 0.635714285714], [0.5, 0.371428571429, 0.628571428571], [0.5, 0.378571428571, 0.621428571429], [0.5, 0.385714285714, 0.614285714286], [0.5, 0.392857142857, 0.607142857143], [0.5, 0.4, 0.6], [0.5, 0.407142857143, 0.592857142857], [0.5, 0.414285714286, 0.585714285714], [0.5, 0.421428571429, 0.578571428571], [0.5, 0.428571428571, 0.571428571429], [0.5, 0.435714285714, 0.564285714286], [0.5, 0.442857142857, 0.557142857143], [0.5, 0.45, 0.55], [0.5, 0.457142857143, 0.542857142857], [0.5, 0.464285714286, 0.535714285714], [0.5, 0.471428571429, 0.528571428571], [0.5, 0.478571428571, 0.521428571429], [0.5, 0.485714285714, 0.514285714286], [0.5, 0.492857142857, 0.507142857143], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.495967741935, 0.495967741935, 0.508064516129], [0.491935483871, 0.491935483871, 0.516129032258], [0.487903225806, 0.487903225806, 0.524193548387], [0.483870967742, 0.483870967742, 0.532258064516], [0.479838709677, 0.479838709677, 0.540322580645], [0.475806451613, 0.475806451613, 0.548387096774], [0.471774193548, 0.471774193548, 0.556451612903], [0.467741935484, 0.467741935484, 0.564516129032], [0.463709677419, 0.463709677419, 0.572580645161], [0.459677419355, 0.459677419355, 0.58064516129], [0.45564516129, 0.45564516129, 0.588709677419], [0.451612903226, 0.451612903226, 0.596774193548], [0.447580645161, 0.447580645161, 0.604838709677], [0.443548387097, 0.443548387097, 0.612903225806], [0.439516129032, 0.439516129032, 0.620967741935], [0.435483870968, 0.435483870968, 0.629032258065], [0.431451612903, 0.431451612903, 0.637096774194], [0.427419354839, 0.427419354839, 0.645161290323], [0.423387096774, 0.423387096774, 0.653225806452], [0.41935483871, 0.41935483871, 0.661290322581], [0.415322580645, 0.415322580645, 0.66935483871], [0.411290322581, 0.411290322581, 0.677419354839], [0.407258064516, 0.407258064516, 0.685483870968], [0.403225806452, 0.403225806452, 0.693548387097], [0.399193548387, 0.399193548387, 0.701612903226], [0.395161290323, 0.395161290323, 0.709677419355], [0.391129032258, 0.391129032258, 0.717741935484], [0.387096774194, 0.387096774194, 0.725806451613], [0.383064516129, 0.383064516129, 0.733870967742], [0.379032258065, 0.379032258065, 0.741935483871], [0.375, 0.375, 0.75], [0.625, 0.25, 0.625], [0.618055555556, 0.236111111111, 0.618055555556], [0.611111111111, 0.222222222222, 0.611111111111], [0.604166666667, 0.208333333333, 0.604166666667], [0.597222222222, 0.194444444444, 0.597222222222], [0.590277777778, 0.180555555556, 0.590277777778], [0.583333333333, 0.166666666667, 0.583333333333], [0.576388888889, 0.152777777778, 0.576388888889], [0.569444444444, 0.138888888889, 0.569444444444], [0.5625, 0.125, 0.5625], [0.555555555556, 0.111111111111, 0.555555555556], [0.548611111111, 0.0972222222222, 0.548611111111], [0.541666666667, 0.0833333333333, 0.541666666667], [0.534722222222, 0.0694444444444, 0.534722222222], [0.527777777778, 0.0555555555556, 0.527777777778], [0.520833333333, 0.0416666666667, 0.520833333333], [0.513888888889, 0.0277777777778, 0.513888888889], [0.506944444444, 0.0138888888889, 0.506944444444], [0.5, 0.0, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "X", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "W", "W", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "U", "U", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "W", "W", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "U", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 15, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: v", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 816, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0322580645161, 0.0, 0.0], [0.0645161290323, 0.0, 0.0], [0.0967741935484, 0.0, 0.0], [0.129032258065, 0.0, 0.0], [0.161290322581, 0.0, 0.0], [0.193548387097, 0.0, 0.0], [0.225806451613, 0.0, 0.0], [0.258064516129, 0.0, 0.0], [0.290322580645, 0.0, 0.0], [0.322580645161, 0.0, 0.0], [0.354838709677, 0.0, 0.0], [0.387096774194, 0.0, 0.0], [0.41935483871, 0.0, 0.0], [0.451612903226, 0.0, 0.0], [0.483870967742, 0.0, 0.0], [0.0322580645161, 0.0322580645161, 0.0], [0.0645161290323, 0.0322580645161, 0.0], [0.0967741935484, 0.0322580645161, 0.0], [0.129032258065, 0.0322580645161, 0.0], [0.161290322581, 0.0322580645161, 0.0], [0.193548387097, 0.0322580645161, 0.0], [0.225806451613, 0.0322580645161, 0.0], [0.258064516129, 0.0322580645161, 0.0], [0.290322580645, 0.0322580645161, 0.0], [0.322580645161, 0.0322580645161, 0.0], [0.354838709677, 0.0322580645161, 0.0], [0.387096774194, 0.0322580645161, 0.0], [0.41935483871, 0.0322580645161, 0.0], [0.451612903226, 0.0322580645161, 0.0], [0.483870967742, 0.0322580645161, 0.0], [-0.483870967742, 0.0322580645161, 0.0], [-0.451612903226, 0.0322580645161, 0.0], [-0.41935483871, 0.0322580645161, 0.0], [-0.387096774194, 0.0322580645161, 0.0], [-0.354838709677, 0.0322580645161, 0.0], [-0.322580645161, 0.0322580645161, 0.0], [-0.290322580645, 0.0322580645161, 0.0], [-0.258064516129, 0.0322580645161, 0.0], [-0.225806451613, 0.0322580645161, 0.0], [-0.193548387097, 0.0322580645161, 0.0], [-0.161290322581, 0.0322580645161, 0.0], [-0.129032258065, 0.0322580645161, 0.0], [-0.0967741935484, 0.0322580645161, 0.0], [-0.0645161290323, 0.0322580645161, 0.0], [-0.0322580645161, 0.0322580645161, 0.0], [0.0645161290323, 0.0645161290323, 0.0], [0.0967741935484, 0.0645161290323, 0.0], [0.129032258065, 0.0645161290323, 0.0], [0.161290322581, 0.0645161290323, 0.0], [0.193548387097, 0.0645161290323, 0.0], [0.225806451613, 0.0645161290323, 0.0], [0.258064516129, 0.0645161290323, 0.0], [0.290322580645, 0.0645161290323, 0.0], [0.322580645161, 0.0645161290323, 0.0], [0.354838709677, 0.0645161290323, 0.0], [0.387096774194, 0.0645161290323, 0.0], [0.41935483871, 0.0645161290323, 0.0], [0.451612903226, 0.0645161290323, 0.0], [0.483870967742, 0.0645161290323, 0.0], [-0.483870967742, 0.0645161290323, 0.0], [-0.451612903226, 0.0645161290323, 0.0], [-0.41935483871, 0.0645161290323, 0.0], [-0.387096774194, 0.0645161290323, 0.0], [-0.354838709677, 0.0645161290323, 0.0], [-0.322580645161, 0.0645161290323, 0.0], [-0.290322580645, 0.0645161290323, 0.0], [-0.258064516129, 0.0645161290323, 0.0], [-0.225806451613, 0.0645161290323, 0.0], [-0.193548387097, 0.0645161290323, 0.0], [-0.161290322581, 0.0645161290323, 0.0], [-0.129032258065, 0.0645161290323, 0.0], [-0.0967741935484, 0.0645161290323, 0.0], [-0.0645161290323, 0.0645161290323, 0.0], [0.0967741935484, 0.0967741935484, 0.0], [0.129032258065, 0.0967741935484, 0.0], [0.161290322581, 0.0967741935484, 0.0], [0.193548387097, 0.0967741935484, 0.0], [0.225806451613, 0.0967741935484, 0.0], [0.258064516129, 0.0967741935484, 0.0], [0.290322580645, 0.0967741935484, 0.0], [0.322580645161, 0.0967741935484, 0.0], [0.354838709677, 0.0967741935484, 0.0], [0.387096774194, 0.0967741935484, 0.0], [0.41935483871, 0.0967741935484, 0.0], [0.451612903226, 0.0967741935484, 0.0], [0.483870967742, 0.0967741935484, 0.0], [-0.483870967742, 0.0967741935484, 0.0], [-0.451612903226, 0.0967741935484, 0.0], [-0.41935483871, 0.0967741935484, 0.0], [-0.387096774194, 0.0967741935484, 0.0], [-0.354838709677, 0.0967741935484, 0.0], [-0.322580645161, 0.0967741935484, 0.0], [-0.290322580645, 0.0967741935484, 0.0], [-0.258064516129, 0.0967741935484, 0.0], [-0.225806451613, 0.0967741935484, 0.0], [-0.193548387097, 0.0967741935484, 0.0], [-0.161290322581, 0.0967741935484, 0.0], [-0.129032258065, 0.0967741935484, 0.0], [-0.0967741935484, 0.0967741935484, 0.0], [0.129032258065, 0.129032258065, 0.0], [0.161290322581, 0.129032258065, 0.0], [0.193548387097, 0.129032258065, 0.0], [0.225806451613, 0.129032258065, 0.0], [0.258064516129, 0.129032258065, 0.0], [0.290322580645, 0.129032258065, 0.0], [0.322580645161, 0.129032258065, 0.0], [0.354838709677, 0.129032258065, 0.0], [0.387096774194, 0.129032258065, 0.0], [0.41935483871, 0.129032258065, 0.0], [0.451612903226, 0.129032258065, 0.0], [0.483870967742, 0.129032258065, 0.0], [-0.483870967742, 0.129032258065, 0.0], [-0.451612903226, 0.129032258065, 0.0], [-0.41935483871, 0.129032258065, 0.0], [-0.387096774194, 0.129032258065, 0.0], [-0.354838709677, 0.129032258065, 0.0], [-0.322580645161, 0.129032258065, 0.0], [-0.290322580645, 0.129032258065, 0.0], [-0.258064516129, 0.129032258065, 0.0], [-0.225806451613, 0.129032258065, 0.0], [-0.193548387097, 0.129032258065, 0.0], [-0.161290322581, 0.129032258065, 0.0], [-0.129032258065, 0.129032258065, 0.0], [0.161290322581, 0.161290322581, 0.0], [0.193548387097, 0.161290322581, 0.0], [0.225806451613, 0.161290322581, 0.0], [0.258064516129, 0.161290322581, 0.0], [0.290322580645, 0.161290322581, 0.0], [0.322580645161, 0.161290322581, 0.0], [0.354838709677, 0.161290322581, 0.0], [0.387096774194, 0.161290322581, 0.0], [0.41935483871, 0.161290322581, 0.0], [0.451612903226, 0.161290322581, 0.0], [0.483870967742, 0.161290322581, 0.0], [-0.483870967742, 0.161290322581, 0.0], [-0.451612903226, 0.161290322581, 0.0], [-0.41935483871, 0.161290322581, 0.0], [-0.387096774194, 0.161290322581, 0.0], [-0.354838709677, 0.161290322581, 0.0], [-0.322580645161, 0.161290322581, 0.0], [-0.290322580645, 0.161290322581, 0.0], [-0.258064516129, 0.161290322581, 0.0], [-0.225806451613, 0.161290322581, 0.0], [-0.193548387097, 0.161290322581, 0.0], [-0.161290322581, 0.161290322581, 0.0], [0.193548387097, 0.193548387097, 0.0], [0.225806451613, 0.193548387097, 0.0], [0.258064516129, 0.193548387097, 0.0], [0.290322580645, 0.193548387097, 0.0], [0.322580645161, 0.193548387097, 0.0], [0.354838709677, 0.193548387097, 0.0], [0.387096774194, 0.193548387097, 0.0], [0.41935483871, 0.193548387097, 0.0], [0.451612903226, 0.193548387097, 0.0], [0.483870967742, 0.193548387097, 0.0], [-0.483870967742, 0.193548387097, 0.0], [-0.451612903226, 0.193548387097, 0.0], [-0.41935483871, 0.193548387097, 0.0], [-0.387096774194, 0.193548387097, 0.0], [-0.354838709677, 0.193548387097, 0.0], [-0.322580645161, 0.193548387097, 0.0], [-0.290322580645, 0.193548387097, 0.0], [-0.258064516129, 0.193548387097, 0.0], [-0.225806451613, 0.193548387097, 0.0], [-0.193548387097, 0.193548387097, 0.0], [0.225806451613, 0.225806451613, 0.0], [0.258064516129, 0.225806451613, 0.0], [0.290322580645, 0.225806451613, 0.0], [0.322580645161, 0.225806451613, 0.0], [0.354838709677, 0.225806451613, 0.0], [0.387096774194, 0.225806451613, 0.0], [0.41935483871, 0.225806451613, 0.0], [0.451612903226, 0.225806451613, 0.0], [0.483870967742, 0.225806451613, 0.0], [-0.483870967742, 0.225806451613, 0.0], [-0.451612903226, 0.225806451613, 0.0], [-0.41935483871, 0.225806451613, 0.0], [-0.387096774194, 0.225806451613, 0.0], [-0.354838709677, 0.225806451613, 0.0], [-0.322580645161, 0.225806451613, 0.0], [-0.290322580645, 0.225806451613, 0.0], [-0.258064516129, 0.225806451613, 0.0], [-0.225806451613, 0.225806451613, 0.0], [0.258064516129, 0.258064516129, 0.0], [0.290322580645, 0.258064516129, 0.0], [0.322580645161, 0.258064516129, 0.0], [0.354838709677, 0.258064516129, 0.0], [0.387096774194, 0.258064516129, 0.0], [0.41935483871, 0.258064516129, 0.0], [0.451612903226, 0.258064516129, 0.0], [0.483870967742, 0.258064516129, 0.0], [-0.483870967742, 0.258064516129, 0.0], [-0.451612903226, 0.258064516129, 0.0], [-0.41935483871, 0.258064516129, 0.0], [-0.387096774194, 0.258064516129, 0.0], [-0.354838709677, 0.258064516129, 0.0], [-0.322580645161, 0.258064516129, 0.0], [-0.290322580645, 0.258064516129, 0.0], [-0.258064516129, 0.258064516129, 0.0], [0.290322580645, 0.290322580645, 0.0], [0.322580645161, 0.290322580645, 0.0], [0.354838709677, 0.290322580645, 0.0], [0.387096774194, 0.290322580645, 0.0], [0.41935483871, 0.290322580645, 0.0], [0.451612903226, 0.290322580645, 0.0], [0.483870967742, 0.290322580645, 0.0], [-0.483870967742, 0.290322580645, 0.0], [-0.451612903226, 0.290322580645, 0.0], [-0.41935483871, 0.290322580645, 0.0], [-0.387096774194, 0.290322580645, 0.0], [-0.354838709677, 0.290322580645, 0.0], [-0.322580645161, 0.290322580645, 0.0], [-0.290322580645, 0.290322580645, 0.0], [0.322580645161, 0.322580645161, 0.0], [0.354838709677, 0.322580645161, 0.0], [0.387096774194, 0.322580645161, 0.0], [0.41935483871, 0.322580645161, 0.0], [0.451612903226, 0.322580645161, 0.0], [0.483870967742, 0.322580645161, 0.0], [-0.483870967742, 0.322580645161, 0.0], [-0.451612903226, 0.322580645161, 0.0], [-0.41935483871, 0.322580645161, 0.0], [-0.387096774194, 0.322580645161, 0.0], [-0.354838709677, 0.322580645161, 0.0], [-0.322580645161, 0.322580645161, 0.0], [0.354838709677, 0.354838709677, 0.0], [0.387096774194, 0.354838709677, 0.0], [0.41935483871, 0.354838709677, 0.0], [0.451612903226, 0.354838709677, 0.0], [0.483870967742, 0.354838709677, 0.0], [-0.483870967742, 0.354838709677, 0.0], [-0.451612903226, 0.354838709677, 0.0], [-0.41935483871, 0.354838709677, 0.0], [-0.387096774194, 0.354838709677, 0.0], [-0.354838709677, 0.354838709677, 0.0], [0.387096774194, 0.387096774194, 0.0], [0.41935483871, 0.387096774194, 0.0], [0.451612903226, 0.387096774194, 0.0], [0.483870967742, 0.387096774194, 0.0], [-0.483870967742, 0.387096774194, 0.0], [-0.451612903226, 0.387096774194, 0.0], [-0.41935483871, 0.387096774194, 0.0], [-0.387096774194, 0.387096774194, 0.0], [0.41935483871, 0.41935483871, 0.0], [0.451612903226, 0.41935483871, 0.0], [0.483870967742, 0.41935483871, 0.0], [-0.483870967742, 0.41935483871, 0.0], [-0.451612903226, 0.41935483871, 0.0], [-0.41935483871, 0.41935483871, 0.0], [0.451612903226, 0.451612903226, 0.0], [0.483870967742, 0.451612903226, 0.0], [-0.483870967742, 0.451612903226, 0.0], [-0.451612903226, 0.451612903226, 0.0], [0.483870967742, 0.483870967742, 0.0], [-0.483870967742, 0.483870967742, 0.0], [0.0967741935484, 0.0645161290323, 0.0322580645161], [0.129032258065, 0.0645161290323, 0.0322580645161], [0.161290322581, 0.0645161290323, 0.0322580645161], [0.193548387097, 0.0645161290323, 0.0322580645161], [0.225806451613, 0.0645161290323, 0.0322580645161], [0.258064516129, 0.0645161290323, 0.0322580645161], [0.290322580645, 0.0645161290323, 0.0322580645161], [0.322580645161, 0.0645161290323, 0.0322580645161], [0.354838709677, 0.0645161290323, 0.0322580645161], [0.387096774194, 0.0645161290323, 0.0322580645161], [0.41935483871, 0.0645161290323, 0.0322580645161], [0.451612903226, 0.0645161290323, 0.0322580645161], [0.483870967742, 0.0645161290323, 0.0322580645161], [-0.483870967742, 0.0645161290323, 0.0322580645161], [0.129032258065, 0.0967741935484, 0.0322580645161], [0.161290322581, 0.0967741935484, 0.0322580645161], [0.193548387097, 0.0967741935484, 0.0322580645161], [0.225806451613, 0.0967741935484, 0.0322580645161], [0.258064516129, 0.0967741935484, 0.0322580645161], [0.290322580645, 0.0967741935484, 0.0322580645161], [0.322580645161, 0.0967741935484, 0.0322580645161], [0.354838709677, 0.0967741935484, 0.0322580645161], [0.387096774194, 0.0967741935484, 0.0322580645161], [0.41935483871, 0.0967741935484, 0.0322580645161], [0.451612903226, 0.0967741935484, 0.0322580645161], [0.483870967742, 0.0967741935484, 0.0322580645161], [-0.483870967742, 0.0967741935484, 0.0322580645161], [-0.451612903226, 0.0967741935484, 0.0322580645161], [-0.41935483871, 0.0967741935484, 0.0322580645161], [-0.387096774194, 0.0967741935484, 0.0322580645161], [-0.354838709677, 0.0967741935484, 0.0322580645161], [-0.322580645161, 0.0967741935484, 0.0322580645161], [-0.290322580645, 0.0967741935484, 0.0322580645161], [-0.258064516129, 0.0967741935484, 0.0322580645161], [-0.225806451613, 0.0967741935484, 0.0322580645161], [-0.193548387097, 0.0967741935484, 0.0322580645161], [-0.161290322581, 0.0967741935484, 0.0322580645161], [-0.129032258065, 0.0967741935484, 0.0322580645161], [-0.0967741935484, 0.0967741935484, 0.0322580645161], [-0.0645161290323, 0.0967741935484, 0.0322580645161], [0.161290322581, 0.129032258065, 0.0322580645161], [0.193548387097, 0.129032258065, 0.0322580645161], [0.225806451613, 0.129032258065, 0.0322580645161], [0.258064516129, 0.129032258065, 0.0322580645161], [0.290322580645, 0.129032258065, 0.0322580645161], [0.322580645161, 0.129032258065, 0.0322580645161], [0.354838709677, 0.129032258065, 0.0322580645161], [0.387096774194, 0.129032258065, 0.0322580645161], [0.41935483871, 0.129032258065, 0.0322580645161], [0.451612903226, 0.129032258065, 0.0322580645161], [0.483870967742, 0.129032258065, 0.0322580645161], [-0.483870967742, 0.129032258065, 0.0322580645161], [-0.451612903226, 0.129032258065, 0.0322580645161], [-0.41935483871, 0.129032258065, 0.0322580645161], [-0.387096774194, 0.129032258065, 0.0322580645161], [-0.354838709677, 0.129032258065, 0.0322580645161], [-0.322580645161, 0.129032258065, 0.0322580645161], [-0.290322580645, 0.129032258065, 0.0322580645161], [-0.258064516129, 0.129032258065, 0.0322580645161], [-0.225806451613, 0.129032258065, 0.0322580645161], [-0.193548387097, 0.129032258065, 0.0322580645161], [-0.161290322581, 0.129032258065, 0.0322580645161], [-0.129032258065, 0.129032258065, 0.0322580645161], [-0.0967741935484, 0.129032258065, 0.0322580645161], [0.193548387097, 0.161290322581, 0.0322580645161], [0.225806451613, 0.161290322581, 0.0322580645161], [0.258064516129, 0.161290322581, 0.0322580645161], [0.290322580645, 0.161290322581, 0.0322580645161], [0.322580645161, 0.161290322581, 0.0322580645161], [0.354838709677, 0.161290322581, 0.0322580645161], [0.387096774194, 0.161290322581, 0.0322580645161], [0.41935483871, 0.161290322581, 0.0322580645161], [0.451612903226, 0.161290322581, 0.0322580645161], [0.483870967742, 0.161290322581, 0.0322580645161], [-0.483870967742, 0.161290322581, 0.0322580645161], [-0.451612903226, 0.161290322581, 0.0322580645161], [-0.41935483871, 0.161290322581, 0.0322580645161], [-0.387096774194, 0.161290322581, 0.0322580645161], [-0.354838709677, 0.161290322581, 0.0322580645161], [-0.322580645161, 0.161290322581, 0.0322580645161], [-0.290322580645, 0.161290322581, 0.0322580645161], [-0.258064516129, 0.161290322581, 0.0322580645161], [-0.225806451613, 0.161290322581, 0.0322580645161], [-0.193548387097, 0.161290322581, 0.0322580645161], [-0.161290322581, 0.161290322581, 0.0322580645161], [-0.129032258065, 0.161290322581, 0.0322580645161], [0.225806451613, 0.193548387097, 0.0322580645161], [0.258064516129, 0.193548387097, 0.0322580645161], [0.290322580645, 0.193548387097, 0.0322580645161], [0.322580645161, 0.193548387097, 0.0322580645161], [0.354838709677, 0.193548387097, 0.0322580645161], [0.387096774194, 0.193548387097, 0.0322580645161], [0.41935483871, 0.193548387097, 0.0322580645161], [0.451612903226, 0.193548387097, 0.0322580645161], [0.483870967742, 0.193548387097, 0.0322580645161], [-0.483870967742, 0.193548387097, 0.0322580645161], [-0.451612903226, 0.193548387097, 0.0322580645161], [-0.41935483871, 0.193548387097, 0.0322580645161], [-0.387096774194, 0.193548387097, 0.0322580645161], [-0.354838709677, 0.193548387097, 0.0322580645161], [-0.322580645161, 0.193548387097, 0.0322580645161], [-0.290322580645, 0.193548387097, 0.0322580645161], [-0.258064516129, 0.193548387097, 0.0322580645161], [-0.225806451613, 0.193548387097, 0.0322580645161], [-0.193548387097, 0.193548387097, 0.0322580645161], [-0.161290322581, 0.193548387097, 0.0322580645161], [0.258064516129, 0.225806451613, 0.0322580645161], [0.290322580645, 0.225806451613, 0.0322580645161], [0.322580645161, 0.225806451613, 0.0322580645161], [0.354838709677, 0.225806451613, 0.0322580645161], [0.387096774194, 0.225806451613, 0.0322580645161], [0.41935483871, 0.225806451613, 0.0322580645161], [0.451612903226, 0.225806451613, 0.0322580645161], [0.483870967742, 0.225806451613, 0.0322580645161], [-0.483870967742, 0.225806451613, 0.0322580645161], [-0.451612903226, 0.225806451613, 0.0322580645161], [-0.41935483871, 0.225806451613, 0.0322580645161], [-0.387096774194, 0.225806451613, 0.0322580645161], [-0.354838709677, 0.225806451613, 0.0322580645161], [-0.322580645161, 0.225806451613, 0.0322580645161], [-0.290322580645, 0.225806451613, 0.0322580645161], [-0.258064516129, 0.225806451613, 0.0322580645161], [-0.225806451613, 0.225806451613, 0.0322580645161], [-0.193548387097, 0.225806451613, 0.0322580645161], [0.290322580645, 0.258064516129, 0.0322580645161], [0.322580645161, 0.258064516129, 0.0322580645161], [0.354838709677, 0.258064516129, 0.0322580645161], [0.387096774194, 0.258064516129, 0.0322580645161], [0.41935483871, 0.258064516129, 0.0322580645161], [0.451612903226, 0.258064516129, 0.0322580645161], [0.483870967742, 0.258064516129, 0.0322580645161], [-0.483870967742, 0.258064516129, 0.0322580645161], [-0.451612903226, 0.258064516129, 0.0322580645161], [-0.41935483871, 0.258064516129, 0.0322580645161], [-0.387096774194, 0.258064516129, 0.0322580645161], [-0.354838709677, 0.258064516129, 0.0322580645161], [-0.322580645161, 0.258064516129, 0.0322580645161], [-0.290322580645, 0.258064516129, 0.0322580645161], [-0.258064516129, 0.258064516129, 0.0322580645161], [-0.225806451613, 0.258064516129, 0.0322580645161], [0.322580645161, 0.290322580645, 0.0322580645161], [0.354838709677, 0.290322580645, 0.0322580645161], [0.387096774194, 0.290322580645, 0.0322580645161], [0.41935483871, 0.290322580645, 0.0322580645161], [0.451612903226, 0.290322580645, 0.0322580645161], [0.483870967742, 0.290322580645, 0.0322580645161], [-0.483870967742, 0.290322580645, 0.0322580645161], [-0.451612903226, 0.290322580645, 0.0322580645161], [-0.41935483871, 0.290322580645, 0.0322580645161], [-0.387096774194, 0.290322580645, 0.0322580645161], [-0.354838709677, 0.290322580645, 0.0322580645161], [-0.322580645161, 0.290322580645, 0.0322580645161], [-0.290322580645, 0.290322580645, 0.0322580645161], [-0.258064516129, 0.290322580645, 0.0322580645161], [0.354838709677, 0.322580645161, 0.0322580645161], [0.387096774194, 0.322580645161, 0.0322580645161], [0.41935483871, 0.322580645161, 0.0322580645161], [0.451612903226, 0.322580645161, 0.0322580645161], [0.483870967742, 0.322580645161, 0.0322580645161], [-0.483870967742, 0.322580645161, 0.0322580645161], [-0.451612903226, 0.322580645161, 0.0322580645161], [-0.41935483871, 0.322580645161, 0.0322580645161], [-0.387096774194, 0.322580645161, 0.0322580645161], [-0.354838709677, 0.322580645161, 0.0322580645161], [-0.322580645161, 0.322580645161, 0.0322580645161], [-0.290322580645, 0.322580645161, 0.0322580645161], [0.387096774194, 0.354838709677, 0.0322580645161], [0.41935483871, 0.354838709677, 0.0322580645161], [0.451612903226, 0.354838709677, 0.0322580645161], [0.483870967742, 0.354838709677, 0.0322580645161], [-0.483870967742, 0.354838709677, 0.0322580645161], [-0.451612903226, 0.354838709677, 0.0322580645161], [-0.41935483871, 0.354838709677, 0.0322580645161], [-0.387096774194, 0.354838709677, 0.0322580645161], [-0.354838709677, 0.354838709677, 0.0322580645161], [-0.322580645161, 0.354838709677, 0.0322580645161], [0.41935483871, 0.387096774194, 0.0322580645161], [0.451612903226, 0.387096774194, 0.0322580645161], [0.483870967742, 0.387096774194, 0.0322580645161], [-0.483870967742, 0.387096774194, 0.0322580645161], [-0.451612903226, 0.387096774194, 0.0322580645161], [-0.41935483871, 0.387096774194, 0.0322580645161], [-0.387096774194, 0.387096774194, 0.0322580645161], [-0.354838709677, 0.387096774194, 0.0322580645161], [0.451612903226, 0.41935483871, 0.0322580645161], [0.483870967742, 0.41935483871, 0.0322580645161], [-0.483870967742, 0.41935483871, 0.0322580645161], [-0.451612903226, 0.41935483871, 0.0322580645161], [-0.41935483871, 0.41935483871, 0.0322580645161], [-0.387096774194, 0.41935483871, 0.0322580645161], [0.483870967742, 0.451612903226, 0.0322580645161], [-0.483870967742, 0.451612903226, 0.0322580645161], [-0.451612903226, 0.451612903226, 0.0322580645161], [-0.41935483871, 0.451612903226, 0.0322580645161], [-0.483870967742, 0.483870967742, 0.0322580645161], [-0.451612903226, 0.483870967742, 0.0322580645161], [0.193548387097, 0.129032258065, 0.0645161290323], [0.225806451613, 0.129032258065, 0.0645161290323], [0.258064516129, 0.129032258065, 0.0645161290323], [0.290322580645, 0.129032258065, 0.0645161290323], [0.322580645161, 0.129032258065, 0.0645161290323], [0.354838709677, 0.129032258065, 0.0645161290323], [0.387096774194, 0.129032258065, 0.0645161290323], [0.41935483871, 0.129032258065, 0.0645161290323], [0.451612903226, 0.129032258065, 0.0645161290323], [0.483870967742, 0.129032258065, 0.0645161290323], [-0.483870967742, 0.129032258065, 0.0645161290323], [-0.451612903226, 0.129032258065, 0.0645161290323], [0.225806451613, 0.161290322581, 0.0645161290323], [0.258064516129, 0.161290322581, 0.0645161290323], [0.290322580645, 0.161290322581, 0.0645161290323], [0.322580645161, 0.161290322581, 0.0645161290323], [0.354838709677, 0.161290322581, 0.0645161290323], [0.387096774194, 0.161290322581, 0.0645161290323], [0.41935483871, 0.161290322581, 0.0645161290323], [0.451612903226, 0.161290322581, 0.0645161290323], [0.483870967742, 0.161290322581, 0.0645161290323], [-0.483870967742, 0.161290322581, 0.0645161290323], [-0.451612903226, 0.161290322581, 0.0645161290323], [-0.41935483871, 0.161290322581, 0.0645161290323], [-0.387096774194, 0.161290322581, 0.0645161290323], [-0.354838709677, 0.161290322581, 0.0645161290323], [-0.322580645161, 0.161290322581, 0.0645161290323], [-0.290322580645, 0.161290322581, 0.0645161290323], [-0.258064516129, 0.161290322581, 0.0645161290323], [-0.225806451613, 0.161290322581, 0.0645161290323], [-0.193548387097, 0.161290322581, 0.0645161290323], [-0.161290322581, 0.161290322581, 0.0645161290323], [-0.129032258065, 0.161290322581, 0.0645161290323], [-0.0967741935484, 0.161290322581, 0.0645161290323], [0.258064516129, 0.193548387097, 0.0645161290323], [0.290322580645, 0.193548387097, 0.0645161290323], [0.322580645161, 0.193548387097, 0.0645161290323], [0.354838709677, 0.193548387097, 0.0645161290323], [0.387096774194, 0.193548387097, 0.0645161290323], [0.41935483871, 0.193548387097, 0.0645161290323], [0.451612903226, 0.193548387097, 0.0645161290323], [0.483870967742, 0.193548387097, 0.0645161290323], [-0.483870967742, 0.193548387097, 0.0645161290323], [-0.451612903226, 0.193548387097, 0.0645161290323], [-0.41935483871, 0.193548387097, 0.0645161290323], [-0.387096774194, 0.193548387097, 0.0645161290323], [-0.354838709677, 0.193548387097, 0.0645161290323], [-0.322580645161, 0.193548387097, 0.0645161290323], [-0.290322580645, 0.193548387097, 0.0645161290323], [-0.258064516129, 0.193548387097, 0.0645161290323], [-0.225806451613, 0.193548387097, 0.0645161290323], [-0.193548387097, 0.193548387097, 0.0645161290323], [-0.161290322581, 0.193548387097, 0.0645161290323], [-0.129032258065, 0.193548387097, 0.0645161290323], [0.290322580645, 0.225806451613, 0.0645161290323], [0.322580645161, 0.225806451613, 0.0645161290323], [0.354838709677, 0.225806451613, 0.0645161290323], [0.387096774194, 0.225806451613, 0.0645161290323], [0.41935483871, 0.225806451613, 0.0645161290323], [0.451612903226, 0.225806451613, 0.0645161290323], [0.483870967742, 0.225806451613, 0.0645161290323], [-0.483870967742, 0.225806451613, 0.0645161290323], [-0.451612903226, 0.225806451613, 0.0645161290323], [-0.41935483871, 0.225806451613, 0.0645161290323], [-0.387096774194, 0.225806451613, 0.0645161290323], [-0.354838709677, 0.225806451613, 0.0645161290323], [-0.322580645161, 0.225806451613, 0.0645161290323], [-0.290322580645, 0.225806451613, 0.0645161290323], [-0.258064516129, 0.225806451613, 0.0645161290323], [-0.225806451613, 0.225806451613, 0.0645161290323], [-0.193548387097, 0.225806451613, 0.0645161290323], [-0.161290322581, 0.225806451613, 0.0645161290323], [0.322580645161, 0.258064516129, 0.0645161290323], [0.354838709677, 0.258064516129, 0.0645161290323], [0.387096774194, 0.258064516129, 0.0645161290323], [0.41935483871, 0.258064516129, 0.0645161290323], [0.451612903226, 0.258064516129, 0.0645161290323], [0.483870967742, 0.258064516129, 0.0645161290323], [-0.483870967742, 0.258064516129, 0.0645161290323], [-0.451612903226, 0.258064516129, 0.0645161290323], [-0.41935483871, 0.258064516129, 0.0645161290323], [-0.387096774194, 0.258064516129, 0.0645161290323], [-0.354838709677, 0.258064516129, 0.0645161290323], [-0.322580645161, 0.258064516129, 0.0645161290323], [-0.290322580645, 0.258064516129, 0.0645161290323], [-0.258064516129, 0.258064516129, 0.0645161290323], [-0.225806451613, 0.258064516129, 0.0645161290323], [-0.193548387097, 0.258064516129, 0.0645161290323], [0.354838709677, 0.290322580645, 0.0645161290323], [0.387096774194, 0.290322580645, 0.0645161290323], [0.41935483871, 0.290322580645, 0.0645161290323], [0.451612903226, 0.290322580645, 0.0645161290323], [0.483870967742, 0.290322580645, 0.0645161290323], [-0.483870967742, 0.290322580645, 0.0645161290323], [-0.451612903226, 0.290322580645, 0.0645161290323], [-0.41935483871, 0.290322580645, 0.0645161290323], [-0.387096774194, 0.290322580645, 0.0645161290323], [-0.354838709677, 0.290322580645, 0.0645161290323], [-0.322580645161, 0.290322580645, 0.0645161290323], [-0.290322580645, 0.290322580645, 0.0645161290323], [-0.258064516129, 0.290322580645, 0.0645161290323], [-0.225806451613, 0.290322580645, 0.0645161290323], [0.387096774194, 0.322580645161, 0.0645161290323], [0.41935483871, 0.322580645161, 0.0645161290323], [0.451612903226, 0.322580645161, 0.0645161290323], [0.483870967742, 0.322580645161, 0.0645161290323], [-0.483870967742, 0.322580645161, 0.0645161290323], [-0.451612903226, 0.322580645161, 0.0645161290323], [-0.41935483871, 0.322580645161, 0.0645161290323], [-0.387096774194, 0.322580645161, 0.0645161290323], [-0.354838709677, 0.322580645161, 0.0645161290323], [-0.322580645161, 0.322580645161, 0.0645161290323], [-0.290322580645, 0.322580645161, 0.0645161290323], [-0.258064516129, 0.322580645161, 0.0645161290323], [0.41935483871, 0.354838709677, 0.0645161290323], [0.451612903226, 0.354838709677, 0.0645161290323], [0.483870967742, 0.354838709677, 0.0645161290323], [-0.483870967742, 0.354838709677, 0.0645161290323], [-0.451612903226, 0.354838709677, 0.0645161290323], [-0.41935483871, 0.354838709677, 0.0645161290323], [-0.387096774194, 0.354838709677, 0.0645161290323], [-0.354838709677, 0.354838709677, 0.0645161290323], [-0.322580645161, 0.354838709677, 0.0645161290323], [-0.290322580645, 0.354838709677, 0.0645161290323], [0.451612903226, 0.387096774194, 0.0645161290323], [0.483870967742, 0.387096774194, 0.0645161290323], [-0.483870967742, 0.387096774194, 0.0645161290323], [-0.451612903226, 0.387096774194, 0.0645161290323], [-0.41935483871, 0.387096774194, 0.0645161290323], [-0.387096774194, 0.387096774194, 0.0645161290323], [-0.354838709677, 0.387096774194, 0.0645161290323], [-0.322580645161, 0.387096774194, 0.0645161290323], [0.483870967742, 0.41935483871, 0.0645161290323], [-0.483870967742, 0.41935483871, 0.0645161290323], [-0.451612903226, 0.41935483871, 0.0645161290323], [-0.41935483871, 0.41935483871, 0.0645161290323], [-0.387096774194, 0.41935483871, 0.0645161290323], [-0.354838709677, 0.41935483871, 0.0645161290323], [-0.483870967742, 0.451612903226, 0.0645161290323], [-0.451612903226, 0.451612903226, 0.0645161290323], [-0.41935483871, 0.451612903226, 0.0645161290323], [-0.387096774194, 0.451612903226, 0.0645161290323], [-0.451612903226, 0.483870967742, 0.0645161290323], [-0.41935483871, 0.483870967742, 0.0645161290323], [0.290322580645, 0.193548387097, 0.0967741935484], [0.322580645161, 0.193548387097, 0.0967741935484], [0.354838709677, 0.193548387097, 0.0967741935484], [0.387096774194, 0.193548387097, 0.0967741935484], [0.41935483871, 0.193548387097, 0.0967741935484], [0.451612903226, 0.193548387097, 0.0967741935484], [0.483870967742, 0.193548387097, 0.0967741935484], [-0.483870967742, 0.193548387097, 0.0967741935484], [-0.451612903226, 0.193548387097, 0.0967741935484], [-0.41935483871, 0.193548387097, 0.0967741935484], [0.322580645161, 0.225806451613, 0.0967741935484], [0.354838709677, 0.225806451613, 0.0967741935484], [0.387096774194, 0.225806451613, 0.0967741935484], [0.41935483871, 0.225806451613, 0.0967741935484], [0.451612903226, 0.225806451613, 0.0967741935484], [0.483870967742, 0.225806451613, 0.0967741935484], [-0.483870967742, 0.225806451613, 0.0967741935484], [-0.451612903226, 0.225806451613, 0.0967741935484], [-0.41935483871, 0.225806451613, 0.0967741935484], [-0.387096774194, 0.225806451613, 0.0967741935484], [-0.354838709677, 0.225806451613, 0.0967741935484], [-0.322580645161, 0.225806451613, 0.0967741935484], [-0.290322580645, 0.225806451613, 0.0967741935484], [-0.258064516129, 0.225806451613, 0.0967741935484], [-0.225806451613, 0.225806451613, 0.0967741935484], [-0.193548387097, 0.225806451613, 0.0967741935484], [-0.161290322581, 0.225806451613, 0.0967741935484], [-0.129032258065, 0.225806451613, 0.0967741935484], [0.354838709677, 0.258064516129, 0.0967741935484], [0.387096774194, 0.258064516129, 0.0967741935484], [0.41935483871, 0.258064516129, 0.0967741935484], [0.451612903226, 0.258064516129, 0.0967741935484], [0.483870967742, 0.258064516129, 0.0967741935484], [-0.483870967742, 0.258064516129, 0.0967741935484], [-0.451612903226, 0.258064516129, 0.0967741935484], [-0.41935483871, 0.258064516129, 0.0967741935484], [-0.387096774194, 0.258064516129, 0.0967741935484], [-0.354838709677, 0.258064516129, 0.0967741935484], [-0.322580645161, 0.258064516129, 0.0967741935484], [-0.290322580645, 0.258064516129, 0.0967741935484], [-0.258064516129, 0.258064516129, 0.0967741935484], [-0.225806451613, 0.258064516129, 0.0967741935484], [-0.193548387097, 0.258064516129, 0.0967741935484], [-0.161290322581, 0.258064516129, 0.0967741935484], [0.387096774194, 0.290322580645, 0.0967741935484], [0.41935483871, 0.290322580645, 0.0967741935484], [0.451612903226, 0.290322580645, 0.0967741935484], [0.483870967742, 0.290322580645, 0.0967741935484], [-0.483870967742, 0.290322580645, 0.0967741935484], [-0.451612903226, 0.290322580645, 0.0967741935484], [-0.41935483871, 0.290322580645, 0.0967741935484], [-0.387096774194, 0.290322580645, 0.0967741935484], [-0.354838709677, 0.290322580645, 0.0967741935484], [-0.322580645161, 0.290322580645, 0.0967741935484], [-0.290322580645, 0.290322580645, 0.0967741935484], [-0.258064516129, 0.290322580645, 0.0967741935484], [-0.225806451613, 0.290322580645, 0.0967741935484], [-0.193548387097, 0.290322580645, 0.0967741935484], [0.41935483871, 0.322580645161, 0.0967741935484], [0.451612903226, 0.322580645161, 0.0967741935484], [0.483870967742, 0.322580645161, 0.0967741935484], [-0.483870967742, 0.322580645161, 0.0967741935484], [-0.451612903226, 0.322580645161, 0.0967741935484], [-0.41935483871, 0.322580645161, 0.0967741935484], [-0.387096774194, 0.322580645161, 0.0967741935484], [-0.354838709677, 0.322580645161, 0.0967741935484], [-0.322580645161, 0.322580645161, 0.0967741935484], [-0.290322580645, 0.322580645161, 0.0967741935484], [-0.258064516129, 0.322580645161, 0.0967741935484], [-0.225806451613, 0.322580645161, 0.0967741935484], [0.451612903226, 0.354838709677, 0.0967741935484], [0.483870967742, 0.354838709677, 0.0967741935484], [-0.483870967742, 0.354838709677, 0.0967741935484], [-0.451612903226, 0.354838709677, 0.0967741935484], [-0.41935483871, 0.354838709677, 0.0967741935484], [-0.387096774194, 0.354838709677, 0.0967741935484], [-0.354838709677, 0.354838709677, 0.0967741935484], [-0.322580645161, 0.354838709677, 0.0967741935484], [-0.290322580645, 0.354838709677, 0.0967741935484], [-0.258064516129, 0.354838709677, 0.0967741935484], [0.483870967742, 0.387096774194, 0.0967741935484], [-0.483870967742, 0.387096774194, 0.0967741935484], [-0.451612903226, 0.387096774194, 0.0967741935484], [-0.41935483871, 0.387096774194, 0.0967741935484], [-0.387096774194, 0.387096774194, 0.0967741935484], [-0.354838709677, 0.387096774194, 0.0967741935484], [-0.322580645161, 0.387096774194, 0.0967741935484], [-0.290322580645, 0.387096774194, 0.0967741935484], [-0.483870967742, 0.41935483871, 0.0967741935484], [-0.451612903226, 0.41935483871, 0.0967741935484], [-0.41935483871, 0.41935483871, 0.0967741935484], [-0.387096774194, 0.41935483871, 0.0967741935484], [-0.354838709677, 0.41935483871, 0.0967741935484], [-0.322580645161, 0.41935483871, 0.0967741935484], [-0.451612903226, 0.451612903226, 0.0967741935484], [-0.41935483871, 0.451612903226, 0.0967741935484], [-0.387096774194, 0.451612903226, 0.0967741935484], [-0.354838709677, 0.451612903226, 0.0967741935484], [-0.41935483871, 0.483870967742, 0.0967741935484], [-0.387096774194, 0.483870967742, 0.0967741935484], [0.387096774194, 0.258064516129, 0.129032258065], [0.41935483871, 0.258064516129, 0.129032258065], [0.451612903226, 0.258064516129, 0.129032258065], [0.483870967742, 0.258064516129, 0.129032258065], [-0.483870967742, 0.258064516129, 0.129032258065], [-0.451612903226, 0.258064516129, 0.129032258065], [-0.41935483871, 0.258064516129, 0.129032258065], [-0.387096774194, 0.258064516129, 0.129032258065], [0.41935483871, 0.290322580645, 0.129032258065], [0.451612903226, 0.290322580645, 0.129032258065], [0.483870967742, 0.290322580645, 0.129032258065], [-0.483870967742, 0.290322580645, 0.129032258065], [-0.451612903226, 0.290322580645, 0.129032258065], [-0.41935483871, 0.290322580645, 0.129032258065], [-0.387096774194, 0.290322580645, 0.129032258065], [-0.354838709677, 0.290322580645, 0.129032258065], [-0.322580645161, 0.290322580645, 0.129032258065], [-0.290322580645, 0.290322580645, 0.129032258065], [-0.258064516129, 0.290322580645, 0.129032258065], [-0.225806451613, 0.290322580645, 0.129032258065], [-0.193548387097, 0.290322580645, 0.129032258065], [-0.161290322581, 0.290322580645, 0.129032258065], [0.451612903226, 0.322580645161, 0.129032258065], [0.483870967742, 0.322580645161, 0.129032258065], [-0.483870967742, 0.322580645161, 0.129032258065], [-0.451612903226, 0.322580645161, 0.129032258065], [-0.41935483871, 0.322580645161, 0.129032258065], [-0.387096774194, 0.322580645161, 0.129032258065], [-0.354838709677, 0.322580645161, 0.129032258065], [-0.322580645161, 0.322580645161, 0.129032258065], [-0.290322580645, 0.322580645161, 0.129032258065], [-0.258064516129, 0.322580645161, 0.129032258065], [-0.225806451613, 0.322580645161, 0.129032258065], [-0.193548387097, 0.322580645161, 0.129032258065], [0.483870967742, 0.354838709677, 0.129032258065], [-0.483870967742, 0.354838709677, 0.129032258065], [-0.451612903226, 0.354838709677, 0.129032258065], [-0.41935483871, 0.354838709677, 0.129032258065], [-0.387096774194, 0.354838709677, 0.129032258065], [-0.354838709677, 0.354838709677, 0.129032258065], [-0.322580645161, 0.354838709677, 0.129032258065], [-0.290322580645, 0.354838709677, 0.129032258065], [-0.258064516129, 0.354838709677, 0.129032258065], [-0.225806451613, 0.354838709677, 0.129032258065], [-0.483870967742, 0.387096774194, 0.129032258065], [-0.451612903226, 0.387096774194, 0.129032258065], [-0.41935483871, 0.387096774194, 0.129032258065], [-0.387096774194, 0.387096774194, 0.129032258065], [-0.354838709677, 0.387096774194, 0.129032258065], [-0.322580645161, 0.387096774194, 0.129032258065], [-0.290322580645, 0.387096774194, 0.129032258065], [-0.258064516129, 0.387096774194, 0.129032258065], [-0.451612903226, 0.41935483871, 0.129032258065], [-0.41935483871, 0.41935483871, 0.129032258065], [-0.387096774194, 0.41935483871, 0.129032258065], [-0.354838709677, 0.41935483871, 0.129032258065], [-0.322580645161, 0.41935483871, 0.129032258065], [-0.290322580645, 0.41935483871, 0.129032258065], [-0.41935483871, 0.451612903226, 0.129032258065], [-0.387096774194, 0.451612903226, 0.129032258065], [-0.354838709677, 0.451612903226, 0.129032258065], [-0.322580645161, 0.451612903226, 0.129032258065], [-0.387096774194, 0.483870967742, 0.129032258065], [-0.354838709677, 0.483870967742, 0.129032258065], [0.483870967742, 0.322580645161, 0.161290322581], [-0.483870967742, 0.322580645161, 0.161290322581], [-0.451612903226, 0.322580645161, 0.161290322581], [-0.41935483871, 0.322580645161, 0.161290322581], [-0.387096774194, 0.322580645161, 0.161290322581], [-0.354838709677, 0.322580645161, 0.161290322581], [-0.483870967742, 0.354838709677, 0.161290322581], [-0.451612903226, 0.354838709677, 0.161290322581], [-0.41935483871, 0.354838709677, 0.161290322581], [-0.387096774194, 0.354838709677, 0.161290322581], [-0.354838709677, 0.354838709677, 0.161290322581], [-0.322580645161, 0.354838709677, 0.161290322581], [-0.290322580645, 0.354838709677, 0.161290322581], [-0.258064516129, 0.354838709677, 0.161290322581], [-0.225806451613, 0.354838709677, 0.161290322581], [-0.193548387097, 0.354838709677, 0.161290322581], [-0.451612903226, 0.387096774194, 0.161290322581], [-0.41935483871, 0.387096774194, 0.161290322581], [-0.387096774194, 0.387096774194, 0.161290322581], [-0.354838709677, 0.387096774194, 0.161290322581], [-0.322580645161, 0.387096774194, 0.161290322581], [-0.290322580645, 0.387096774194, 0.161290322581], [-0.258064516129, 0.387096774194, 0.161290322581], [-0.225806451613, 0.387096774194, 0.161290322581], [-0.41935483871, 0.41935483871, 0.161290322581], [-0.387096774194, 0.41935483871, 0.161290322581], [-0.354838709677, 0.41935483871, 0.161290322581], [-0.322580645161, 0.41935483871, 0.161290322581], [-0.290322580645, 0.41935483871, 0.161290322581], [-0.258064516129, 0.41935483871, 0.161290322581], [-0.387096774194, 0.451612903226, 0.161290322581], [-0.354838709677, 0.451612903226, 0.161290322581], [-0.322580645161, 0.451612903226, 0.161290322581], [-0.290322580645, 0.451612903226, 0.161290322581], [-0.354838709677, 0.483870967742, 0.161290322581], [-0.322580645161, 0.483870967742, 0.161290322581], [-0.41935483871, 0.387096774194, 0.193548387097], [-0.387096774194, 0.387096774194, 0.193548387097], [-0.354838709677, 0.387096774194, 0.193548387097], [-0.322580645161, 0.387096774194, 0.193548387097], [-0.387096774194, 0.41935483871, 0.193548387097], [-0.354838709677, 0.41935483871, 0.193548387097], [-0.322580645161, 0.41935483871, 0.193548387097], [-0.290322580645, 0.41935483871, 0.193548387097], [-0.258064516129, 0.41935483871, 0.193548387097], [-0.225806451613, 0.41935483871, 0.193548387097], [-0.354838709677, 0.451612903226, 0.193548387097], [-0.322580645161, 0.451612903226, 0.193548387097], [-0.290322580645, 0.451612903226, 0.193548387097], [-0.258064516129, 0.451612903226, 0.193548387097], [-0.322580645161, 0.483870967742, 0.193548387097], [-0.290322580645, 0.483870967742, 0.193548387097], [-0.322580645161, 0.451612903226, 0.225806451613], [-0.290322580645, 0.451612903226, 0.225806451613], [-0.290322580645, 0.483870967742, 0.225806451613], [-0.258064516129, 0.483870967742, 0.225806451613]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 12.0, 6.0, 12.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 24.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"incar": {"ISIF": 3, "IBRION": 2, "NSW": 200, "NELM": 100, "ISPIN": 2, "ALGO": "Fast", "SYSTEM": "Rubyvaspy :: v", "ENCUT": 520, "LREAL": "Auto", "EDIFF": 2e-06, "PREC": "Accurate", "NELMIN": 3, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": true, "ICHARG": 1, "NPAR": 1, "MAGMOM": [5.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.3208915313, 0.0, 1.3399673503], [0.7736305104, 2.1881575202, 1.3399673503], [0.0, 0.0, 2.6799347007]], "a": 2.6799347006839667, "b": 2.679934700640965, "c": 2.6799347007, "alpha": 60.00000000050566, "beta": 60.00000000103645, "gamma": 60.00000000087283, "volume": 13.609984749912638}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Poscar v1.1 :: 1 :: V"}}}, "magnetism": {"total_magnetization": -0.0027643}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": -0.002}}]}, "nsites": 1, "elements": ["V"], "nelements": 1, "composition": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "formula_anonymous": "A", "chemsys": "V", "volume": 13.92576318115692, "density": 6.0743780003827705, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d8d"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:29:47.110000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-12 17:25:27"}, "task_ids": ["mp-1056025", "mp-1056853", "mp-1056167", "mp-1056203", "mp-1056742", "mp-1056399", "mp-1056581", "mp-1056018", "mp-1056689", "mp-1056734", "mp-1056267", "mp-1055931", "mp-1056866", "mp-1056146", "mp-1055936", "mp-1056818", "mp-1056274", "mp-1056085", "mp-1056112", "mp-1056215", "mp-1056241", "mp-1056286", "mp-1056842", "mp-1056074", "mp-1056885", "mp-1056411", "mp-1056400", "mp-1056615", "mp-1056686", "mp-1056765", "mp-1055980", "mp-1055971", "mp-1056835", "mp-1056103", "mp-1056806", "mp-1056269", "mp-1056648", "mp-1056130", "mp-1056115", "mp-1056101", "mp-1056317", "mp-1056000", "mp-1056382", "mp-1056281", "mp-1056645", "mp-1056826", "mp-1056420", "mp-1056294", "mp-1056338", "mp-1056091", "mp-1056271", "mp-1056205", "mp-1056450", "mp-1056176", "mp-1056625", "mp-1056268", "mp-1056676", "mp-1055986", "mp-1055939", "mp-1056109", "mp-1056639", "mp-1056626", "mp-1056563", "mp-1056482", "mp-1055996", "mp-1056196", "mp-1055978", "mp-1056445", "mp-1056032", "mp-1056705", "mp-1056135", "mp-1440943", "mp-1056097", "mp-923289", "mp-1056663", "mp-1056785", "mp-1056807", "mp-1056577", "mp-1056066", "mp-1056187", "mp-1056564", "mp-1056082", "mp-1056371", "mp-1056391", "mp-922496", "mp-1056597", "mp-1056654", "mp-1056662", "mp-1056140", "mp-1056006", "mp-1056198", "mp-1056276", "mp-1056856", "mp-1056388", "mp-1056062", "mp-1055988", "mp-1056659", "mp-1056086", "mp-1056199", "mp-1056005", "mp-1056327", "mp-1056623", "mp-1056651", "mp-1056363", "mp-1056282", "mp-1055934", "mp-1056869", "mp-1056077", "mp-1056713", "mp-1055995", "mp-1056119", "mp-1056401", "mp-1056172", "mp-1056301", "mp-1056293", "mp-1056644", "mp-908025", "mp-1056081", "mp-1056124", "mp-1056752", "mp-1056421", "mp-1056535", "mp-1056555", "mp-1056263", "mp-1056665", "mp-1056743", "mp-1056189", "mp-150", "mp-1056429", "mp-1056190", "mp-1056206", "mp-1056197", "mp-1056253", "mp-1056011", "mp-1056234", "mp-1056823", "mp-1056801", "mp-1056719", "mp-1056666", "mp-1056675", "mp-1056859", "mp-1056019", "mp-1056441", "mp-1056550", "mp-1056372", "mp-1056805", "mp-1056671", "mp-1056087", "mp-1056093", "mp-1056838", "mp-1056024", "mp-1056410", "mp-1056365", "mp-1056658", "mp-1056832", "mp-1056080", "mp-1056292", "mp-1056463", "mp-1056636", "mp-1056816", "mp-1056822", "mp-1056185", "mp-1056678", "mp-1056841", "mp-1056216"], "deprecated_tasks": [], "task_id": "mp-150", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-922496", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-01-27 18:44:25"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-922496", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-01-27 18:44:25"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1440943", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:29:47.110000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1440943", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:29:47.110000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1440943", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:29:47.110000"}}], "task_types": {"mp-923289": "GGA NSCF Line", "mp-908025": "GGA Static", "mp-922496": "GGA NSCF Uniform", "mp-150": "GGA Structure Optimization", "mp-1055931": "GGA Structure Optimization", "mp-1055939": "GGA NSCF Uniform", "mp-1055971": "GGA Structure Optimization", "mp-1055934": "GGA Static", "mp-1055978": "GGA Static", "mp-1055986": "GGA Static", "mp-1055988": "GGA NSCF Line", "mp-1056000": "GGA NSCF Uniform", "mp-1055995": "GGA NSCF Line", "mp-1056005": "GGA Structure Optimization", "mp-1056011": "GGA Static", "mp-1056006": "GGA Structure Optimization", "mp-1056018": "GGA Static", "mp-1056019": "GGA NSCF Line", "mp-1055980": "GGA Structure Optimization", "mp-1055936": "GGA NSCF Line", "mp-1056024": "GGA NSCF Uniform", "mp-1056025": "GGA NSCF Line", "mp-1056032": "GGA NSCF Uniform", "mp-1056062": "GGA Structure Optimization", "mp-1056066": "GGA Static", "mp-1056074": "GGA NSCF Line", "mp-1056077": "GGA Structure Optimization", "mp-1056080": "GGA Structure Optimization", "mp-1056081": "GGA Structure Optimization", "mp-1056082": "GGA Static", "mp-1056085": "GGA NSCF Uniform", "mp-1056086": "GGA Static", "mp-1056087": "GGA Static", "mp-1056091": "GGA NSCF Line", "mp-1056093": "GGA NSCF Line", "mp-1056097": "GGA NSCF Line", "mp-1056101": "GGA NSCF Uniform", "mp-1056103": "GGA NSCF Uniform", "mp-1056109": "GGA NSCF Uniform", "mp-1056112": "GGA Structure Optimization", "mp-1056115": "GGA Structure Optimization", "mp-1056119": "GGA Static", "mp-1056124": "GGA Static", "mp-1056130": "GGA NSCF Line", "mp-1056135": "GGA NSCF Line", "mp-1055996": "GGA NSCF Uniform", "mp-1056140": "GGA NSCF Uniform", "mp-1056167": "GGA Structure Optimization", "mp-1056399": "GGA NSCF Uniform", "mp-1056282": "GGA NSCF Line", "mp-1056176": "GGA Static", "mp-1056400": "GGA Static", "mp-1056401": "GGA NSCF Uniform", "mp-1056146": "GGA NSCF Uniform", "mp-1056294": "GGA NSCF Uniform", "mp-1056185": "GGA Static", "mp-1056187": "GGA NSCF Line", "mp-1056189": "GGA Structure Optimization", "mp-1056190": "GGA Structure Optimization", "mp-1056410": "GGA NSCF Line", "mp-1056317": "GGA Static", "mp-1056411": "GGA Structure Optimization", "mp-1056198": "GGA Static", "mp-1056327": "GGA NSCF Line", "mp-1056206": "GGA NSCF Uniform", "mp-1056420": "GGA Static", "mp-1056421": "GGA NSCF Uniform", "mp-1056172": "GGA Structure Optimization", "mp-1056216": "GGA NSCF Uniform", "mp-1056338": "GGA NSCF Uniform", "mp-1056196": "GGA Static", "mp-1056197": "GGA NSCF Line", "mp-1056429": "GGA NSCF Line", "mp-1056199": "GGA NSCF Uniform", "mp-1056203": "GGA NSCF Line", "mp-1056205": "GGA NSCF Line", "mp-1056363": "GGA Structure Optimization", "mp-1056441": "GGA Structure Optimization", "mp-1056365": "GGA Structure Optimization", "mp-1056215": "GGA NSCF Uniform", "mp-1056445": "GGA NSCF Uniform", "mp-1056267": "GGA Structure Optimization", "mp-1056268": "GGA Structure Optimization", "mp-1056269": "GGA NSCF Uniform", "mp-1056450": "GGA Static", "mp-1056371": "GGA Static", "mp-1056372": "GGA Static", "mp-1056286": "GGA NSCF Line", "mp-1056234": "GGA Structure Optimization", "mp-1056292": "GGA NSCF Uniform", "mp-1056241": "GGA Static", "mp-1056301": "GGA Structure Optimization", "mp-1056382": "GGA NSCF Line", "mp-1056253": "GGA NSCF Line", "mp-1056463": "GGA NSCF Line", "mp-1056263": "GGA Structure Optimization", "mp-1056388": "GGA NSCF Line", "mp-1056271": "GGA Static", "mp-1056391": "GGA Structure Optimization", "mp-1056274": "GGA Static", "mp-1056276": "GGA Static", "mp-1056281": "GGA NSCF Line", "mp-1056293": "GGA NSCF Uniform", "mp-1056555": "GGA Structure Optimization", "mp-1056577": "GGA NSCF Line", "mp-1056581": "GGA NSCF Uniform", "mp-1056563": "GGA Static", "mp-1056564": "GGA NSCF Line", "mp-1056482": "GGA NSCF Uniform", "mp-1056597": "GGA NSCF Uniform", "mp-1056615": "GGA Structure Optimization", "mp-1056623": "GGA Structure Optimization", "mp-1056625": "GGA Static", "mp-1056636": "GGA Static", "mp-1056626": "GGA Structure Optimization", "mp-1056644": "GGA NSCF Line", "mp-1056639": "GGA Static", "mp-1056645": "GGA Structure Optimization", "mp-1056648": "GGA NSCF Line", "mp-1056651": "GGA NSCF Line", "mp-1056654": "GGA Static", "mp-1056659": "GGA NSCF Uniform", "mp-1056665": "GGA NSCF Line", "mp-1056662": "GGA Static", "mp-1056663": "GGA NSCF Uniform", "mp-1056658": "GGA Structure Optimization", "mp-1056671": "GGA Structure Optimization", "mp-1056675": "GGA NSCF Line", "mp-1056666": "GGA NSCF Uniform", "mp-1056676": "GGA NSCF Uniform", "mp-1056689": "GGA NSCF Line", "mp-1056678": "GGA Static", "mp-1056686": "GGA NSCF Uniform", "mp-1056705": "GGA NSCF Uniform", "mp-1056713": "GGA Structure Optimization", "mp-1056719": "GGA Static", "mp-1056734": "GGA NSCF Line", "mp-1056535": "GGA Structure Optimization", "mp-1056752": "GGA Static", "mp-1056742": "GGA Structure Optimization", "mp-1056743": "GGA NSCF Uniform", "mp-1056765": "GGA NSCF Line", "mp-1056550": "GGA Static", "mp-1056866": "GGA NSCF Uniform", "mp-1056785": "GGA NSCF Uniform", "mp-1056885": "GGA NSCF Uniform", "mp-1056801": "GGA Structure Optimization", "mp-1056805": "GGA Structure Optimization", "mp-1056806": "GGA Structure Optimization", "mp-1056807": "GGA Structure Optimization", "mp-1056816": "GGA Static", "mp-1056818": "GGA Static", "mp-1056822": "GGA Static", "mp-1056823": "GGA Static", "mp-1056826": "GGA Structure Optimization", "mp-1056832": "GGA NSCF Line", "mp-1056835": "GGA Static", "mp-1056838": "GGA NSCF Line", "mp-1056841": "GGA NSCF Line", "mp-1056842": "GGA NSCF Line", "mp-1056853": "GGA NSCF Line", "mp-1056856": "GGA NSCF Uniform", "mp-1056859": "GGA NSCF Uniform", "mp-1056869": "GGA NSCF Uniform", "mp-1440943": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-1055988", "cbm": null, "dos_task": "mp-922496", "efermi": 4.9377636, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-922496", "vbm": null}, "energy": -8.31560958, "energy_per_atom": -8.31560958, "entries": {"gga": {"composition": {"Fe": 1.0}, "energy": -8.31560958, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1440943"}, "entry_id": "mp-150"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 15, "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 1172, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.00276243093923, 1.70260031818e-19, 0.00276243093923], [0.00552486187845, 3.40520063637e-19, 0.00552486187845], [0.00828729281768, 5.10780095455e-19, 0.00828729281768], [0.0110497237569, 6.81040127274e-19, 0.0110497237569], [0.0138121546961, 8.51300159092e-19, 0.0138121546961], [0.0165745856354, 1.02156019091e-18, 0.0165745856354], [0.0193370165746, 1.19182022273e-18, 0.0193370165746], [0.0220994475138, 1.36208025455e-18, 0.0220994475138], [0.024861878453, 1.53234028637e-18, 0.024861878453], [0.0276243093923, 1.70260031818e-18, 0.0276243093923], [0.0303867403315, 1.87286035e-18, 0.0303867403315], [0.0331491712707, 2.04312038182e-18, 0.0331491712707], [0.0359116022099, 2.21338041364e-18, 0.0359116022099], [0.0386740331492, 2.38364044546e-18, 0.0386740331492], [0.0414364640884, 2.55390047728e-18, 0.0414364640884], [0.0441988950276, 2.72416050909e-18, 0.0441988950276], [0.0469613259669, 2.89442054091e-18, 0.0469613259669], [0.0497237569061, 3.06468057273e-18, 0.0497237569061], [0.0524861878453, 3.23494060455e-18, 0.0524861878453], [0.0552486187845, 3.40520063637e-18, 0.0552486187845], [0.0580110497238, 3.57546066819e-18, 0.0580110497238], [0.060773480663, 3.74572070001e-18, 0.060773480663], [0.0635359116022, 3.91598073182e-18, 0.0635359116022], [0.0662983425414, 4.08624076364e-18, 0.0662983425414], [0.0690607734807, 4.25650079546e-18, 0.0690607734807], [0.0718232044199, 4.42676082728e-18, 0.0718232044199], [0.0745856353591, 4.5970208591e-18, 0.0745856353591], [0.0773480662983, 4.76728089092e-18, 0.0773480662983], [0.0801104972376, 4.93754092273e-18, 0.0801104972376], [0.0828729281768, 5.10780095455e-18, 0.0828729281768], [0.085635359116, 5.27806098637e-18, 0.085635359116], [0.0883977900552, 5.44832101819e-18, 0.0883977900552], [0.0911602209945, 5.61858105001e-18, 0.0911602209945], [0.0939226519337, 5.78884108183e-18, 0.0939226519337], [0.0966850828729, 5.95910111364e-18, 0.0966850828729], [0.0994475138122, 6.12936114546e-18, 0.0994475138122], [0.102209944751, 6.29962117728e-18, 0.102209944751], [0.104972375691, 6.4698812091e-18, 0.104972375691], [0.10773480663, 6.64014124092e-18, 0.10773480663], [0.110497237569, 6.81040127274e-18, 0.110497237569], [0.113259668508, 6.98066130455e-18, 0.113259668508], [0.116022099448, 7.15092133637e-18, 0.116022099448], [0.118784530387, 7.32118136819e-18, 0.118784530387], [0.121546961326, 7.49144140001e-18, 0.121546961326], [0.124309392265, 7.66170143183e-18, 0.124309392265], [0.127071823204, 7.83196146365e-18, 0.127071823204], [0.129834254144, 8.00222149547e-18, 0.129834254144], [0.132596685083, 8.17248152728e-18, 0.132596685083], [0.135359116022, 8.3427415591e-18, 0.135359116022], [0.138121546961, 8.51300159092e-18, 0.138121546961], [0.140883977901, 8.68326162274e-18, 0.140883977901], [0.14364640884, 8.85352165456e-18, 0.14364640884], [0.146408839779, 9.02378168638e-18, 0.146408839779], [0.149171270718, 9.19404171819e-18, 0.149171270718], [0.151933701657, 9.36430175001e-18, 0.151933701657], [0.154696132597, 9.53456178183e-18, 0.154696132597], [0.157458563536, 9.70482181365e-18, 0.157458563536], [0.160220994475, 9.87508184547e-18, 0.160220994475], [0.162983425414, 1.00453418773e-17, 0.162983425414], [0.165745856354, 1.02156019091e-17, 0.165745856354], [0.168508287293, 1.03858619409e-17, 0.168508287293], [0.171270718232, 1.05561219727e-17, 0.171270718232], [0.174033149171, 1.07263820046e-17, 0.174033149171], [0.17679558011, 1.08966420364e-17, 0.17679558011], [0.17955801105, 1.10669020682e-17, 0.17955801105], [0.182320441989, 1.12371621e-17, 0.182320441989], [0.185082872928, 1.14074221318e-17, 0.185082872928], [0.187845303867, 1.15776821637e-17, 0.187845303867], [0.190607734807, 1.17479421955e-17, 0.190607734807], [0.193370165746, 1.19182022273e-17, 0.193370165746], [0.196132596685, 1.20884622591e-17, 0.196132596685], [0.198895027624, 1.22587222909e-17, 0.198895027624], [0.201657458564, 1.24289823227e-17, 0.201657458564], [0.204419889503, 1.25992423546e-17, 0.204419889503], [0.207182320442, 1.27695023864e-17, 0.207182320442], [0.209944751381, 1.29397624182e-17, 0.209944751381], [0.21270718232, 1.311002245e-17, 0.21270718232], [0.21546961326, 1.32802824818e-17, 0.21546961326], [0.218232044199, 1.34505425137e-17, 0.218232044199], [0.220994475138, 1.36208025455e-17, 0.220994475138], [0.223756906077, 1.37910625773e-17, 0.223756906077], [0.226519337017, 1.39613226091e-17, 0.226519337017], [0.229281767956, 1.41315826409e-17, 0.229281767956], [0.232044198895, 1.43018426727e-17, 0.232044198895], [0.234806629834, 1.44721027046e-17, 0.234806629834], [0.237569060773, 1.46423627364e-17, 0.237569060773], [0.240331491713, 1.48126227682e-17, 0.240331491713], [0.243093922652, 1.49828828e-17, 0.243093922652], [0.245856353591, 1.51531428318e-17, 0.245856353591], [0.24861878453, 1.53234028637e-17, 0.24861878453], [0.25138121547, 1.54936628955e-17, 0.25138121547], [0.254143646409, 1.56639229273e-17, 0.254143646409], [0.256906077348, 1.58341829591e-17, 0.256906077348], [0.259668508287, 1.60044429909e-17, 0.259668508287], [0.262430939227, 1.61747030227e-17, 0.262430939227], [0.265193370166, 1.63449630546e-17, 0.265193370166], [0.267955801105, 1.65152230864e-17, 0.267955801105], [0.270718232044, 1.66854831182e-17, 0.270718232044], [0.273480662983, 1.685574315e-17, 0.273480662983], [0.276243093923, 1.70260031818e-17, 0.276243093923], [0.279005524862, 1.71962632137e-17, 0.279005524862], [0.281767955801, 1.73665232455e-17, 0.281767955801], [0.28453038674, 1.75367832773e-17, 0.28453038674], [0.28729281768, 1.77070433091e-17, 0.28729281768], [0.290055248619, 1.78773033409e-17, 0.290055248619], [0.292817679558, 1.80475633728e-17, 0.292817679558], [0.295580110497, 1.82178234046e-17, 0.295580110497], [0.298342541436, 1.83880834364e-17, 0.298342541436], [0.301104972376, 1.85583434682e-17, 0.301104972376], [0.303867403315, 1.87286035e-17, 0.303867403315], [0.306629834254, 1.88988635318e-17, 0.306629834254], [0.309392265193, 1.90691235637e-17, 0.309392265193], [0.312154696133, 1.92393835955e-17, 0.312154696133], [0.314917127072, 1.94096436273e-17, 0.314917127072], [0.317679558011, 1.95799036591e-17, 0.317679558011], [0.32044198895, 1.97501636909e-17, 0.32044198895], [0.32320441989, 1.99204237228e-17, 0.32320441989], [0.325966850829, 2.00906837546e-17, 0.325966850829], [0.328729281768, 2.02609437864e-17, 0.328729281768], [0.331491712707, 2.04312038182e-17, 0.331491712707], [0.334254143646, 2.060146385e-17, 0.334254143646], [0.337016574586, 2.07717238818e-17, 0.337016574586], [0.339779005525, 2.09419839137e-17, 0.339779005525], [0.342541436464, 2.11122439455e-17, 0.342541436464], [0.345303867403, 2.12825039773e-17, 0.345303867403], [0.348066298343, 2.14527640091e-17, 0.348066298343], [0.350828729282, 2.16230240409e-17, 0.350828729282], [0.353591160221, 2.17932840728e-17, 0.353591160221], [0.35635359116, 2.19635441046e-17, 0.35635359116], [0.359116022099, 2.21338041364e-17, 0.359116022099], [0.361878453039, 2.23040641682e-17, 0.361878453039], [0.364640883978, 2.24743242e-17, 0.364640883978], [0.367403314917, 2.26445842318e-17, 0.367403314917], [0.370165745856, 2.28148442637e-17, 0.370165745856], [0.372928176796, 2.29851042955e-17, 0.372928176796], [0.375690607735, 2.31553643273e-17, 0.375690607735], [0.378453038674, 2.33256243591e-17, 0.378453038674], [0.381215469613, 2.34958843909e-17, 0.381215469613], [0.383977900552, 2.36661444228e-17, 0.383977900552], [0.386740331492, 2.38364044546e-17, 0.386740331492], [0.389502762431, 2.40066644864e-17, 0.389502762431], [0.39226519337, 2.41769245182e-17, 0.39226519337], [0.395027624309, 2.434718455e-17, 0.395027624309], [0.397790055249, 2.45174445819e-17, 0.397790055249], [0.400552486188, 2.46877046137e-17, 0.400552486188], [0.403314917127, 2.48579646455e-17, 0.403314917127], [0.406077348066, 2.50282246773e-17, 0.406077348066], [0.408839779006, 2.51984847091e-17, 0.408839779006], [0.411602209945, 2.53687447409e-17, 0.411602209945], [0.414364640884, 2.55390047728e-17, 0.414364640884], [0.417127071823, 2.57092648046e-17, 0.417127071823], [0.419889502762, 2.58795248364e-17, 0.419889502762], [0.422651933702, 2.60497848682e-17, 0.422651933702], [0.425414364641, 2.62200449e-17, 0.425414364641], [0.42817679558, 2.63903049319e-17, 0.42817679558], [0.430939226519, 2.65605649637e-17, 0.430939226519], [0.433701657459, 2.67308249955e-17, 0.433701657459], [0.436464088398, 2.69010850273e-17, 0.436464088398], [0.439226519337, 2.70713450591e-17, 0.439226519337], [0.441988950276, 2.72416050909e-17, 0.441988950276], [0.444751381215, 2.74118651228e-17, 0.444751381215], [0.447513812155, 2.75821251546e-17, 0.447513812155], [0.450276243094, 2.77523851864e-17, 0.450276243094], [0.453038674033, 2.79226452182e-17, 0.453038674033], [0.455801104972, 2.809290525e-17, 0.455801104972], [0.458563535912, 2.82631652819e-17, 0.458563535912], [0.461325966851, 2.84334253137e-17, 0.461325966851], [0.46408839779, 2.86036853455e-17, 0.46408839779], [0.466850828729, 2.87739453773e-17, 0.466850828729], [0.469613259669, 2.89442054091e-17, 0.469613259669], [0.472375690608, 2.91144654409e-17, 0.472375690608], [0.475138121547, 2.92847254728e-17, 0.475138121547], [0.477900552486, 2.94549855046e-17, 0.477900552486], [0.480662983425, 2.96252455364e-17, 0.480662983425], [0.483425414365, 2.97955055682e-17, 0.483425414365], [0.486187845304, 2.99657656e-17, 0.486187845304], [0.488950276243, 3.01360256319e-17, 0.488950276243], [0.491712707182, 3.03062856637e-17, 0.491712707182], [0.494475138122, 3.04765456955e-17, 0.494475138122], [0.497237569061, 3.06468057273e-17, 0.497237569061], [0.5, 3.08170657591e-17, 0.5], [0.5, 3.08170657591e-17, 0.5], [0.5, 0.00274725274725, 0.502747252747], [0.5, 0.00549450549451, 0.505494505495], [0.5, 0.00824175824176, 0.508241758242], [0.5, 0.010989010989, 0.510989010989], [0.5, 0.0137362637363, 0.513736263736], [0.5, 0.0164835164835, 0.516483516484], [0.5, 0.0192307692308, 0.519230769231], [0.5, 0.021978021978, 0.521978021978], [0.5, 0.0247252747253, 0.524725274725], [0.5, 0.0274725274725, 0.527472527473], [0.5, 0.0302197802198, 0.53021978022], [0.5, 0.032967032967, 0.532967032967], [0.5, 0.0357142857143, 0.535714285714], [0.5, 0.0384615384615, 0.538461538462], [0.5, 0.0412087912088, 0.541208791209], [0.5, 0.043956043956, 0.543956043956], [0.5, 0.0467032967033, 0.546703296703], [0.5, 0.0494505494505, 0.549450549451], [0.5, 0.0521978021978, 0.552197802198], [0.5, 0.0549450549451, 0.554945054945], [0.5, 0.0576923076923, 0.557692307692], [0.5, 0.0604395604396, 0.56043956044], [0.5, 0.0631868131868, 0.563186813187], [0.5, 0.0659340659341, 0.565934065934], [0.5, 0.0686813186813, 0.568681318681], [0.5, 0.0714285714286, 0.571428571429], [0.5, 0.0741758241758, 0.574175824176], [0.5, 0.0769230769231, 0.576923076923], [0.5, 0.0796703296703, 0.57967032967], [0.5, 0.0824175824176, 0.582417582418], [0.5, 0.0851648351648, 0.585164835165], [0.5, 0.0879120879121, 0.587912087912], [0.5, 0.0906593406593, 0.590659340659], [0.5, 0.0934065934066, 0.593406593407], [0.5, 0.0961538461538, 0.596153846154], [0.5, 0.0989010989011, 0.598901098901], [0.5, 0.101648351648, 0.601648351648], [0.5, 0.104395604396, 0.604395604396], [0.5, 0.107142857143, 0.607142857143], [0.5, 0.10989010989, 0.60989010989], [0.5, 0.112637362637, 0.612637362637], [0.5, 0.115384615385, 0.615384615385], [0.5, 0.118131868132, 0.618131868132], [0.5, 0.120879120879, 0.620879120879], [0.5, 0.123626373626, 0.623626373626], [0.5, 0.126373626374, 0.626373626374], [0.5, 0.129120879121, 0.629120879121], [0.5, 0.131868131868, 0.631868131868], [0.5, 0.134615384615, 0.634615384615], [0.5, 0.137362637363, 0.637362637363], [0.5, 0.14010989011, 0.64010989011], [0.5, 0.142857142857, 0.642857142857], [0.5, 0.145604395604, 0.645604395604], [0.5, 0.148351648352, 0.648351648352], [0.5, 0.151098901099, 0.651098901099], [0.5, 0.153846153846, 0.653846153846], [0.5, 0.156593406593, 0.656593406593], [0.5, 0.159340659341, 0.659340659341], [0.5, 0.162087912088, 0.662087912088], [0.5, 0.164835164835, 0.664835164835], [0.5, 0.167582417582, 0.667582417582], [0.5, 0.17032967033, 0.67032967033], [0.5, 0.173076923077, 0.673076923077], [0.5, 0.175824175824, 0.675824175824], [0.5, 0.178571428571, 0.678571428571], [0.5, 0.181318681319, 0.681318681319], [0.5, 0.184065934066, 0.684065934066], [0.5, 0.186813186813, 0.686813186813], [0.5, 0.18956043956, 0.68956043956], [0.5, 0.192307692308, 0.692307692308], [0.5, 0.195054945055, 0.695054945055], [0.5, 0.197802197802, 0.697802197802], [0.5, 0.200549450549, 0.700549450549], [0.5, 0.203296703297, 0.703296703297], [0.5, 0.206043956044, 0.706043956044], [0.5, 0.208791208791, 0.708791208791], [0.5, 0.211538461538, 0.711538461538], [0.5, 0.214285714286, 0.714285714286], [0.5, 0.217032967033, 0.717032967033], [0.5, 0.21978021978, 0.71978021978], [0.5, 0.222527472527, 0.722527472527], [0.5, 0.225274725275, 0.725274725275], [0.5, 0.228021978022, 0.728021978022], [0.5, 0.230769230769, 0.730769230769], [0.5, 0.233516483516, 0.733516483516], [0.5, 0.236263736264, 0.736263736264], [0.5, 0.239010989011, 0.739010989011], [0.5, 0.241758241758, 0.741758241758], [0.5, 0.244505494505, 0.744505494505], [0.5, 0.247252747253, 0.747252747253], [0.5, 0.25, 0.75], [0.5, 0.25, 0.75], [0.498046875, 0.251953125, 0.75], [0.49609375, 0.25390625, 0.75], [0.494140625, 0.255859375, 0.75], [0.4921875, 0.2578125, 0.75], [0.490234375, 0.259765625, 0.75], [0.48828125, 0.26171875, 0.75], [0.486328125, 0.263671875, 0.75], [0.484375, 0.265625, 0.75], [0.482421875, 0.267578125, 0.75], [0.48046875, 0.26953125, 0.75], [0.478515625, 0.271484375, 0.75], [0.4765625, 0.2734375, 0.75], [0.474609375, 0.275390625, 0.75], [0.47265625, 0.27734375, 0.75], [0.470703125, 0.279296875, 0.75], [0.46875, 0.28125, 0.75], [0.466796875, 0.283203125, 0.75], [0.46484375, 0.28515625, 0.75], [0.462890625, 0.287109375, 0.75], [0.4609375, 0.2890625, 0.75], [0.458984375, 0.291015625, 0.75], [0.45703125, 0.29296875, 0.75], [0.455078125, 0.294921875, 0.75], [0.453125, 0.296875, 0.75], [0.451171875, 0.298828125, 0.75], [0.44921875, 0.30078125, 0.75], [0.447265625, 0.302734375, 0.75], [0.4453125, 0.3046875, 0.75], [0.443359375, 0.306640625, 0.75], [0.44140625, 0.30859375, 0.75], [0.439453125, 0.310546875, 0.75], [0.4375, 0.3125, 0.75], [0.435546875, 0.314453125, 0.75], [0.43359375, 0.31640625, 0.75], [0.431640625, 0.318359375, 0.75], [0.4296875, 0.3203125, 0.75], [0.427734375, 0.322265625, 0.75], [0.42578125, 0.32421875, 0.75], [0.423828125, 0.326171875, 0.75], [0.421875, 0.328125, 0.75], [0.419921875, 0.330078125, 0.75], [0.41796875, 0.33203125, 0.75], [0.416015625, 0.333984375, 0.75], [0.4140625, 0.3359375, 0.75], [0.412109375, 0.337890625, 0.75], [0.41015625, 0.33984375, 0.75], [0.408203125, 0.341796875, 0.75], [0.40625, 0.34375, 0.75], [0.404296875, 0.345703125, 0.75], [0.40234375, 0.34765625, 0.75], [0.400390625, 0.349609375, 0.75], [0.3984375, 0.3515625, 0.75], [0.396484375, 0.353515625, 0.75], [0.39453125, 0.35546875, 0.75], [0.392578125, 0.357421875, 0.75], [0.390625, 0.359375, 0.75], [0.388671875, 0.361328125, 0.75], [0.38671875, 0.36328125, 0.75], [0.384765625, 0.365234375, 0.75], [0.3828125, 0.3671875, 0.75], [0.380859375, 0.369140625, 0.75], [0.37890625, 0.37109375, 0.75], [0.376953125, 0.373046875, 0.75], [0.375, 0.375, 0.75], [0.375, 0.375, 0.75], [0.373046875, 0.373046875, 0.74609375], [0.37109375, 0.37109375, 0.7421875], [0.369140625, 0.369140625, 0.73828125], [0.3671875, 0.3671875, 0.734375], [0.365234375, 0.365234375, 0.73046875], [0.36328125, 0.36328125, 0.7265625], [0.361328125, 0.361328125, 0.72265625], [0.359375, 0.359375, 0.71875], [0.357421875, 0.357421875, 0.71484375], [0.35546875, 0.35546875, 0.7109375], [0.353515625, 0.353515625, 0.70703125], [0.3515625, 0.3515625, 0.703125], [0.349609375, 0.349609375, 0.69921875], [0.34765625, 0.34765625, 0.6953125], [0.345703125, 0.345703125, 0.69140625], [0.34375, 0.34375, 0.6875], [0.341796875, 0.341796875, 0.68359375], [0.33984375, 0.33984375, 0.6796875], [0.337890625, 0.337890625, 0.67578125], [0.3359375, 0.3359375, 0.671875], [0.333984375, 0.333984375, 0.66796875], [0.33203125, 0.33203125, 0.6640625], [0.330078125, 0.330078125, 0.66015625], [0.328125, 0.328125, 0.65625], [0.326171875, 0.326171875, 0.65234375], [0.32421875, 0.32421875, 0.6484375], [0.322265625, 0.322265625, 0.64453125], [0.3203125, 0.3203125, 0.640625], [0.318359375, 0.318359375, 0.63671875], [0.31640625, 0.31640625, 0.6328125], [0.314453125, 0.314453125, 0.62890625], [0.3125, 0.3125, 0.625], [0.310546875, 0.310546875, 0.62109375], [0.30859375, 0.30859375, 0.6171875], [0.306640625, 0.306640625, 0.61328125], [0.3046875, 0.3046875, 0.609375], [0.302734375, 0.302734375, 0.60546875], [0.30078125, 0.30078125, 0.6015625], [0.298828125, 0.298828125, 0.59765625], [0.296875, 0.296875, 0.59375], [0.294921875, 0.294921875, 0.58984375], [0.29296875, 0.29296875, 0.5859375], [0.291015625, 0.291015625, 0.58203125], [0.2890625, 0.2890625, 0.578125], [0.287109375, 0.287109375, 0.57421875], [0.28515625, 0.28515625, 0.5703125], [0.283203125, 0.283203125, 0.56640625], [0.28125, 0.28125, 0.5625], [0.279296875, 0.279296875, 0.55859375], [0.27734375, 0.27734375, 0.5546875], [0.275390625, 0.275390625, 0.55078125], [0.2734375, 0.2734375, 0.546875], [0.271484375, 0.271484375, 0.54296875], [0.26953125, 0.26953125, 0.5390625], [0.267578125, 0.267578125, 0.53515625], [0.265625, 0.265625, 0.53125], [0.263671875, 0.263671875, 0.52734375], [0.26171875, 0.26171875, 0.5234375], [0.259765625, 0.259765625, 0.51953125], [0.2578125, 0.2578125, 0.515625], [0.255859375, 0.255859375, 0.51171875], [0.25390625, 0.25390625, 0.5078125], [0.251953125, 0.251953125, 0.50390625], [0.25, 0.25, 0.5], [0.248046875, 0.248046875, 0.49609375], [0.24609375, 0.24609375, 0.4921875], [0.244140625, 0.244140625, 0.48828125], [0.2421875, 0.2421875, 0.484375], [0.240234375, 0.240234375, 0.48046875], [0.23828125, 0.23828125, 0.4765625], [0.236328125, 0.236328125, 0.47265625], [0.234375, 0.234375, 0.46875], [0.232421875, 0.232421875, 0.46484375], [0.23046875, 0.23046875, 0.4609375], [0.228515625, 0.228515625, 0.45703125], [0.2265625, 0.2265625, 0.453125], [0.224609375, 0.224609375, 0.44921875], [0.22265625, 0.22265625, 0.4453125], [0.220703125, 0.220703125, 0.44140625], [0.21875, 0.21875, 0.4375], [0.216796875, 0.216796875, 0.43359375], [0.21484375, 0.21484375, 0.4296875], [0.212890625, 0.212890625, 0.42578125], [0.2109375, 0.2109375, 0.421875], [0.208984375, 0.208984375, 0.41796875], [0.20703125, 0.20703125, 0.4140625], [0.205078125, 0.205078125, 0.41015625], [0.203125, 0.203125, 0.40625], [0.201171875, 0.201171875, 0.40234375], [0.19921875, 0.19921875, 0.3984375], [0.197265625, 0.197265625, 0.39453125], [0.1953125, 0.1953125, 0.390625], [0.193359375, 0.193359375, 0.38671875], [0.19140625, 0.19140625, 0.3828125], [0.189453125, 0.189453125, 0.37890625], [0.1875, 0.1875, 0.375], [0.185546875, 0.185546875, 0.37109375], [0.18359375, 0.18359375, 0.3671875], [0.181640625, 0.181640625, 0.36328125], [0.1796875, 0.1796875, 0.359375], [0.177734375, 0.177734375, 0.35546875], [0.17578125, 0.17578125, 0.3515625], [0.173828125, 0.173828125, 0.34765625], [0.171875, 0.171875, 0.34375], [0.169921875, 0.169921875, 0.33984375], [0.16796875, 0.16796875, 0.3359375], [0.166015625, 0.166015625, 0.33203125], [0.1640625, 0.1640625, 0.328125], [0.162109375, 0.162109375, 0.32421875], [0.16015625, 0.16015625, 0.3203125], [0.158203125, 0.158203125, 0.31640625], [0.15625, 0.15625, 0.3125], [0.154296875, 0.154296875, 0.30859375], [0.15234375, 0.15234375, 0.3046875], [0.150390625, 0.150390625, 0.30078125], [0.1484375, 0.1484375, 0.296875], [0.146484375, 0.146484375, 0.29296875], [0.14453125, 0.14453125, 0.2890625], [0.142578125, 0.142578125, 0.28515625], [0.140625, 0.140625, 0.28125], [0.138671875, 0.138671875, 0.27734375], [0.13671875, 0.13671875, 0.2734375], [0.134765625, 0.134765625, 0.26953125], [0.1328125, 0.1328125, 0.265625], [0.130859375, 0.130859375, 0.26171875], [0.12890625, 0.12890625, 0.2578125], [0.126953125, 0.126953125, 0.25390625], [0.125, 0.125, 0.25], [0.123046875, 0.123046875, 0.24609375], [0.12109375, 0.12109375, 0.2421875], [0.119140625, 0.119140625, 0.23828125], [0.1171875, 0.1171875, 0.234375], [0.115234375, 0.115234375, 0.23046875], [0.11328125, 0.11328125, 0.2265625], [0.111328125, 0.111328125, 0.22265625], [0.109375, 0.109375, 0.21875], [0.107421875, 0.107421875, 0.21484375], [0.10546875, 0.10546875, 0.2109375], [0.103515625, 0.103515625, 0.20703125], [0.1015625, 0.1015625, 0.203125], [0.099609375, 0.099609375, 0.19921875], [0.09765625, 0.09765625, 0.1953125], [0.095703125, 0.095703125, 0.19140625], [0.09375, 0.09375, 0.1875], [0.091796875, 0.091796875, 0.18359375], [0.08984375, 0.08984375, 0.1796875], [0.087890625, 0.087890625, 0.17578125], [0.0859375, 0.0859375, 0.171875], [0.083984375, 0.083984375, 0.16796875], [0.08203125, 0.08203125, 0.1640625], [0.080078125, 0.080078125, 0.16015625], [0.078125, 0.078125, 0.15625], [0.076171875, 0.076171875, 0.15234375], [0.07421875, 0.07421875, 0.1484375], [0.072265625, 0.072265625, 0.14453125], [0.0703125, 0.0703125, 0.140625], [0.068359375, 0.068359375, 0.13671875], [0.06640625, 0.06640625, 0.1328125], [0.064453125, 0.064453125, 0.12890625], [0.0625, 0.0625, 0.125], [0.060546875, 0.060546875, 0.12109375], [0.05859375, 0.05859375, 0.1171875], [0.056640625, 0.056640625, 0.11328125], [0.0546875, 0.0546875, 0.109375], [0.052734375, 0.052734375, 0.10546875], [0.05078125, 0.05078125, 0.1015625], [0.048828125, 0.048828125, 0.09765625], [0.046875, 0.046875, 0.09375], [0.044921875, 0.044921875, 0.08984375], [0.04296875, 0.04296875, 0.0859375], [0.041015625, 0.041015625, 0.08203125], [0.0390625, 0.0390625, 0.078125], [0.037109375, 0.037109375, 0.07421875], [0.03515625, 0.03515625, 0.0703125], [0.033203125, 0.033203125, 0.06640625], [0.03125, 0.03125, 0.0625], [0.029296875, 0.029296875, 0.05859375], [0.02734375, 0.02734375, 0.0546875], [0.025390625, 0.025390625, 0.05078125], [0.0234375, 0.0234375, 0.046875], [0.021484375, 0.021484375, 0.04296875], [0.01953125, 0.01953125, 0.0390625], [0.017578125, 0.017578125, 0.03515625], [0.015625, 0.015625, 0.03125], [0.013671875, 0.013671875, 0.02734375], [0.01171875, 0.01171875, 0.0234375], [0.009765625, 0.009765625, 0.01953125], [0.0078125, 0.0078125, 0.015625], [0.005859375, 0.005859375, 0.01171875], [0.00390625, 0.00390625, 0.0078125], [0.001953125, 0.001953125, 0.00390625], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.00320512820513, 0.00320512820513, 0.00320512820513], [0.00641025641026, 0.00641025641026, 0.00641025641026], [0.00961538461538, 0.00961538461538, 0.00961538461538], [0.0128205128205, 0.0128205128205, 0.0128205128205], [0.0160256410256, 0.0160256410256, 0.0160256410256], [0.0192307692308, 0.0192307692308, 0.0192307692308], [0.0224358974359, 0.0224358974359, 0.0224358974359], [0.025641025641, 0.025641025641, 0.025641025641], [0.0288461538462, 0.0288461538462, 0.0288461538462], [0.0320512820513, 0.0320512820513, 0.0320512820513], [0.0352564102564, 0.0352564102564, 0.0352564102564], [0.0384615384615, 0.0384615384615, 0.0384615384615], [0.0416666666667, 0.0416666666667, 0.0416666666667], [0.0448717948718, 0.0448717948718, 0.0448717948718], [0.0480769230769, 0.0480769230769, 0.0480769230769], [0.0512820512821, 0.0512820512821, 0.0512820512821], [0.0544871794872, 0.0544871794872, 0.0544871794872], [0.0576923076923, 0.0576923076923, 0.0576923076923], [0.0608974358974, 0.0608974358974, 0.0608974358974], [0.0641025641026, 0.0641025641026, 0.0641025641026], [0.0673076923077, 0.0673076923077, 0.0673076923077], [0.0705128205128, 0.0705128205128, 0.0705128205128], [0.0737179487179, 0.0737179487179, 0.0737179487179], [0.0769230769231, 0.0769230769231, 0.0769230769231], [0.0801282051282, 0.0801282051282, 0.0801282051282], [0.0833333333333, 0.0833333333333, 0.0833333333333], [0.0865384615385, 0.0865384615385, 0.0865384615385], [0.0897435897436, 0.0897435897436, 0.0897435897436], [0.0929487179487, 0.0929487179487, 0.0929487179487], [0.0961538461538, 0.0961538461538, 0.0961538461538], [0.099358974359, 0.099358974359, 0.099358974359], [0.102564102564, 0.102564102564, 0.102564102564], [0.105769230769, 0.105769230769, 0.105769230769], [0.108974358974, 0.108974358974, 0.108974358974], [0.112179487179, 0.112179487179, 0.112179487179], [0.115384615385, 0.115384615385, 0.115384615385], [0.11858974359, 0.11858974359, 0.11858974359], [0.121794871795, 0.121794871795, 0.121794871795], [0.125, 0.125, 0.125], [0.128205128205, 0.128205128205, 0.128205128205], [0.13141025641, 0.13141025641, 0.13141025641], [0.134615384615, 0.134615384615, 0.134615384615], [0.137820512821, 0.137820512821, 0.137820512821], [0.141025641026, 0.141025641026, 0.141025641026], [0.144230769231, 0.144230769231, 0.144230769231], [0.147435897436, 0.147435897436, 0.147435897436], [0.150641025641, 0.150641025641, 0.150641025641], [0.153846153846, 0.153846153846, 0.153846153846], [0.157051282051, 0.157051282051, 0.157051282051], [0.160256410256, 0.160256410256, 0.160256410256], [0.163461538462, 0.163461538462, 0.163461538462], [0.166666666667, 0.166666666667, 0.166666666667], [0.169871794872, 0.169871794872, 0.169871794872], [0.173076923077, 0.173076923077, 0.173076923077], [0.176282051282, 0.176282051282, 0.176282051282], [0.179487179487, 0.179487179487, 0.179487179487], [0.182692307692, 0.182692307692, 0.182692307692], [0.185897435897, 0.185897435897, 0.185897435897], [0.189102564103, 0.189102564103, 0.189102564103], [0.192307692308, 0.192307692308, 0.192307692308], [0.195512820513, 0.195512820513, 0.195512820513], [0.198717948718, 0.198717948718, 0.198717948718], [0.201923076923, 0.201923076923, 0.201923076923], [0.205128205128, 0.205128205128, 0.205128205128], [0.208333333333, 0.208333333333, 0.208333333333], [0.211538461538, 0.211538461538, 0.211538461538], [0.214743589744, 0.214743589744, 0.214743589744], [0.217948717949, 0.217948717949, 0.217948717949], [0.221153846154, 0.221153846154, 0.221153846154], [0.224358974359, 0.224358974359, 0.224358974359], [0.227564102564, 0.227564102564, 0.227564102564], [0.230769230769, 0.230769230769, 0.230769230769], [0.233974358974, 0.233974358974, 0.233974358974], [0.237179487179, 0.237179487179, 0.237179487179], [0.240384615385, 0.240384615385, 0.240384615385], [0.24358974359, 0.24358974359, 0.24358974359], [0.246794871795, 0.246794871795, 0.246794871795], [0.25, 0.25, 0.25], [0.253205128205, 0.253205128205, 0.253205128205], [0.25641025641, 0.25641025641, 0.25641025641], [0.259615384615, 0.259615384615, 0.259615384615], [0.262820512821, 0.262820512821, 0.262820512821], [0.266025641026, 0.266025641026, 0.266025641026], [0.269230769231, 0.269230769231, 0.269230769231], [0.272435897436, 0.272435897436, 0.272435897436], [0.275641025641, 0.275641025641, 0.275641025641], [0.278846153846, 0.278846153846, 0.278846153846], [0.282051282051, 0.282051282051, 0.282051282051], [0.285256410256, 0.285256410256, 0.285256410256], [0.288461538462, 0.288461538462, 0.288461538462], [0.291666666667, 0.291666666667, 0.291666666667], [0.294871794872, 0.294871794872, 0.294871794872], [0.298076923077, 0.298076923077, 0.298076923077], [0.301282051282, 0.301282051282, 0.301282051282], [0.304487179487, 0.304487179487, 0.304487179487], [0.307692307692, 0.307692307692, 0.307692307692], [0.310897435897, 0.310897435897, 0.310897435897], [0.314102564103, 0.314102564103, 0.314102564103], [0.317307692308, 0.317307692308, 0.317307692308], [0.320512820513, 0.320512820513, 0.320512820513], [0.323717948718, 0.323717948718, 0.323717948718], [0.326923076923, 0.326923076923, 0.326923076923], [0.330128205128, 0.330128205128, 0.330128205128], [0.333333333333, 0.333333333333, 0.333333333333], [0.336538461538, 0.336538461538, 0.336538461538], [0.339743589744, 0.339743589744, 0.339743589744], [0.342948717949, 0.342948717949, 0.342948717949], [0.346153846154, 0.346153846154, 0.346153846154], [0.349358974359, 0.349358974359, 0.349358974359], [0.352564102564, 0.352564102564, 0.352564102564], [0.355769230769, 0.355769230769, 0.355769230769], [0.358974358974, 0.358974358974, 0.358974358974], [0.362179487179, 0.362179487179, 0.362179487179], [0.365384615385, 0.365384615385, 0.365384615385], [0.36858974359, 0.36858974359, 0.36858974359], [0.371794871795, 0.371794871795, 0.371794871795], [0.375, 0.375, 0.375], [0.378205128205, 0.378205128205, 0.378205128205], [0.38141025641, 0.38141025641, 0.38141025641], [0.384615384615, 0.384615384615, 0.384615384615], [0.387820512821, 0.387820512821, 0.387820512821], [0.391025641026, 0.391025641026, 0.391025641026], [0.394230769231, 0.394230769231, 0.394230769231], [0.397435897436, 0.397435897436, 0.397435897436], [0.400641025641, 0.400641025641, 0.400641025641], [0.403846153846, 0.403846153846, 0.403846153846], [0.407051282051, 0.407051282051, 0.407051282051], [0.410256410256, 0.410256410256, 0.410256410256], [0.413461538462, 0.413461538462, 0.413461538462], [0.416666666667, 0.416666666667, 0.416666666667], [0.419871794872, 0.419871794872, 0.419871794872], [0.423076923077, 0.423076923077, 0.423076923077], [0.426282051282, 0.426282051282, 0.426282051282], [0.429487179487, 0.429487179487, 0.429487179487], [0.432692307692, 0.432692307692, 0.432692307692], [0.435897435897, 0.435897435897, 0.435897435897], [0.439102564103, 0.439102564103, 0.439102564103], [0.442307692308, 0.442307692308, 0.442307692308], [0.445512820513, 0.445512820513, 0.445512820513], [0.448717948718, 0.448717948718, 0.448717948718], [0.451923076923, 0.451923076923, 0.451923076923], [0.455128205128, 0.455128205128, 0.455128205128], [0.458333333333, 0.458333333333, 0.458333333333], [0.461538461538, 0.461538461538, 0.461538461538], [0.464743589744, 0.464743589744, 0.464743589744], [0.467948717949, 0.467948717949, 0.467948717949], [0.471153846154, 0.471153846154, 0.471153846154], [0.474358974359, 0.474358974359, 0.474358974359], [0.477564102564, 0.477564102564, 0.477564102564], [0.480769230769, 0.480769230769, 0.480769230769], [0.483974358974, 0.483974358974, 0.483974358974], [0.487179487179, 0.487179487179, 0.487179487179], [0.490384615385, 0.490384615385, 0.490384615385], [0.49358974359, 0.49358974359, 0.49358974359], [0.496794871795, 0.496794871795, 0.496794871795], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.501126126126, 0.497747747748, 0.501126126126], [0.502252252252, 0.495495495495, 0.502252252252], [0.503378378378, 0.493243243243, 0.503378378378], [0.504504504505, 0.490990990991, 0.504504504505], [0.505630630631, 0.488738738739, 0.505630630631], [0.506756756757, 0.486486486486, 0.506756756757], [0.507882882883, 0.484234234234, 0.507882882883], [0.509009009009, 0.481981981982, 0.509009009009], [0.510135135135, 0.47972972973, 0.510135135135], [0.511261261261, 0.477477477477, 0.511261261261], [0.512387387387, 0.475225225225, 0.512387387387], [0.513513513514, 0.472972972973, 0.513513513514], [0.51463963964, 0.470720720721, 0.51463963964], [0.515765765766, 0.468468468468, 0.515765765766], [0.516891891892, 0.466216216216, 0.516891891892], [0.518018018018, 0.463963963964, 0.518018018018], [0.519144144144, 0.461711711712, 0.519144144144], [0.52027027027, 0.459459459459, 0.52027027027], [0.521396396396, 0.457207207207, 0.521396396396], [0.522522522523, 0.454954954955, 0.522522522523], [0.523648648649, 0.452702702703, 0.523648648649], [0.524774774775, 0.45045045045, 0.524774774775], [0.525900900901, 0.448198198198, 0.525900900901], [0.527027027027, 0.445945945946, 0.527027027027], [0.528153153153, 0.443693693694, 0.528153153153], [0.529279279279, 0.441441441441, 0.529279279279], [0.530405405405, 0.439189189189, 0.530405405405], [0.531531531532, 0.436936936937, 0.531531531532], [0.532657657658, 0.434684684685, 0.532657657658], [0.533783783784, 0.432432432432, 0.533783783784], [0.53490990991, 0.43018018018, 0.53490990991], [0.536036036036, 0.427927927928, 0.536036036036], [0.537162162162, 0.425675675676, 0.537162162162], [0.538288288288, 0.423423423423, 0.538288288288], [0.539414414414, 0.421171171171, 0.539414414414], [0.540540540541, 0.418918918919, 0.540540540541], [0.541666666667, 0.416666666667, 0.541666666667], [0.542792792793, 0.414414414414, 0.542792792793], [0.543918918919, 0.412162162162, 0.543918918919], [0.545045045045, 0.40990990991, 0.545045045045], [0.546171171171, 0.407657657658, 0.546171171171], [0.547297297297, 0.405405405405, 0.547297297297], [0.548423423423, 0.403153153153, 0.548423423423], [0.54954954955, 0.400900900901, 0.54954954955], [0.550675675676, 0.398648648649, 0.550675675676], [0.551801801802, 0.396396396396, 0.551801801802], [0.552927927928, 0.394144144144, 0.552927927928], [0.554054054054, 0.391891891892, 0.554054054054], [0.55518018018, 0.38963963964, 0.55518018018], [0.556306306306, 0.387387387387, 0.556306306306], [0.557432432432, 0.385135135135, 0.557432432432], [0.558558558559, 0.382882882883, 0.558558558559], [0.559684684685, 0.380630630631, 0.559684684685], [0.560810810811, 0.378378378378, 0.560810810811], [0.561936936937, 0.376126126126, 0.561936936937], [0.563063063063, 0.373873873874, 0.563063063063], [0.564189189189, 0.371621621622, 0.564189189189], [0.565315315315, 0.369369369369, 0.565315315315], [0.566441441441, 0.367117117117, 0.566441441441], [0.567567567568, 0.364864864865, 0.567567567568], [0.568693693694, 0.362612612613, 0.568693693694], [0.56981981982, 0.36036036036, 0.56981981982], [0.570945945946, 0.358108108108, 0.570945945946], [0.572072072072, 0.355855855856, 0.572072072072], [0.573198198198, 0.353603603604, 0.573198198198], [0.574324324324, 0.351351351351, 0.574324324324], [0.57545045045, 0.349099099099, 0.57545045045], [0.576576576577, 0.346846846847, 0.576576576577], [0.577702702703, 0.344594594595, 0.577702702703], [0.578828828829, 0.342342342342, 0.578828828829], [0.579954954955, 0.34009009009, 0.579954954955], [0.581081081081, 0.337837837838, 0.581081081081], [0.582207207207, 0.335585585586, 0.582207207207], [0.583333333333, 0.333333333333, 0.583333333333], [0.584459459459, 0.331081081081, 0.584459459459], [0.585585585586, 0.328828828829, 0.585585585586], [0.586711711712, 0.326576576577, 0.586711711712], [0.587837837838, 0.324324324324, 0.587837837838], [0.588963963964, 0.322072072072, 0.588963963964], [0.59009009009, 0.31981981982, 0.59009009009], [0.591216216216, 0.317567567568, 0.591216216216], [0.592342342342, 0.315315315315, 0.592342342342], [0.593468468468, 0.313063063063, 0.593468468468], [0.594594594595, 0.310810810811, 0.594594594595], [0.595720720721, 0.308558558559, 0.595720720721], [0.596846846847, 0.306306306306, 0.596846846847], [0.597972972973, 0.304054054054, 0.597972972973], [0.599099099099, 0.301801801802, 0.599099099099], [0.600225225225, 0.29954954955, 0.600225225225], [0.601351351351, 0.297297297297, 0.601351351351], [0.602477477477, 0.295045045045, 0.602477477477], [0.603603603604, 0.292792792793, 0.603603603604], [0.60472972973, 0.290540540541, 0.60472972973], [0.605855855856, 0.288288288288, 0.605855855856], [0.606981981982, 0.286036036036, 0.606981981982], [0.608108108108, 0.283783783784, 0.608108108108], [0.609234234234, 0.281531531532, 0.609234234234], [0.61036036036, 0.279279279279, 0.61036036036], [0.611486486486, 0.277027027027, 0.611486486486], [0.612612612613, 0.274774774775, 0.612612612613], [0.613738738739, 0.272522522523, 0.613738738739], [0.614864864865, 0.27027027027, 0.614864864865], [0.615990990991, 0.268018018018, 0.615990990991], [0.617117117117, 0.265765765766, 0.617117117117], [0.618243243243, 0.263513513514, 0.618243243243], [0.619369369369, 0.261261261261, 0.619369369369], [0.620495495495, 0.259009009009, 0.620495495495], [0.621621621622, 0.256756756757, 0.621621621622], [0.622747747748, 0.254504504505, 0.622747747748], [0.623873873874, 0.252252252252, 0.623873873874], [0.625, 0.25, 0.625], [0.625, 0.25, 0.625], [0.623046875, 0.25, 0.626953125], [0.62109375, 0.25, 0.62890625], [0.619140625, 0.25, 0.630859375], [0.6171875, 0.25, 0.6328125], [0.615234375, 0.25, 0.634765625], [0.61328125, 0.25, 0.63671875], [0.611328125, 0.25, 0.638671875], [0.609375, 0.25, 0.640625], [0.607421875, 0.25, 0.642578125], [0.60546875, 0.25, 0.64453125], [0.603515625, 0.25, 0.646484375], [0.6015625, 0.25, 0.6484375], [0.599609375, 0.25, 0.650390625], [0.59765625, 0.25, 0.65234375], [0.595703125, 0.25, 0.654296875], [0.59375, 0.25, 0.65625], [0.591796875, 0.25, 0.658203125], [0.58984375, 0.25, 0.66015625], [0.587890625, 0.25, 0.662109375], [0.5859375, 0.25, 0.6640625], [0.583984375, 0.25, 0.666015625], [0.58203125, 0.25, 0.66796875], [0.580078125, 0.25, 0.669921875], [0.578125, 0.25, 0.671875], [0.576171875, 0.25, 0.673828125], [0.57421875, 0.25, 0.67578125], [0.572265625, 0.25, 0.677734375], [0.5703125, 0.25, 0.6796875], [0.568359375, 0.25, 0.681640625], [0.56640625, 0.25, 0.68359375], [0.564453125, 0.25, 0.685546875], [0.5625, 0.25, 0.6875], [0.560546875, 0.25, 0.689453125], [0.55859375, 0.25, 0.69140625], [0.556640625, 0.25, 0.693359375], [0.5546875, 0.25, 0.6953125], [0.552734375, 0.25, 0.697265625], [0.55078125, 0.25, 0.69921875], [0.548828125, 0.25, 0.701171875], [0.546875, 0.25, 0.703125], [0.544921875, 0.25, 0.705078125], [0.54296875, 0.25, 0.70703125], [0.541015625, 0.25, 0.708984375], [0.5390625, 0.25, 0.7109375], [0.537109375, 0.25, 0.712890625], [0.53515625, 0.25, 0.71484375], [0.533203125, 0.25, 0.716796875], [0.53125, 0.25, 0.71875], [0.529296875, 0.25, 0.720703125], [0.52734375, 0.25, 0.72265625], [0.525390625, 0.25, 0.724609375], [0.5234375, 0.25, 0.7265625], [0.521484375, 0.25, 0.728515625], [0.51953125, 0.25, 0.73046875], [0.517578125, 0.25, 0.732421875], [0.515625, 0.25, 0.734375], [0.513671875, 0.25, 0.736328125], [0.51171875, 0.25, 0.73828125], [0.509765625, 0.25, 0.740234375], [0.5078125, 0.25, 0.7421875], [0.505859375, 0.25, 0.744140625], [0.50390625, 0.25, 0.74609375], [0.501953125, 0.25, 0.748046875], [0.5, 0.25, 0.75], [0.5, 0.25, 0.75], [0.5, 0.251953125, 0.748046875], [0.5, 0.25390625, 0.74609375], [0.5, 0.255859375, 0.744140625], [0.5, 0.2578125, 0.7421875], [0.5, 0.259765625, 0.740234375], [0.5, 0.26171875, 0.73828125], [0.5, 0.263671875, 0.736328125], [0.5, 0.265625, 0.734375], [0.5, 0.267578125, 0.732421875], [0.5, 0.26953125, 0.73046875], [0.5, 0.271484375, 0.728515625], [0.5, 0.2734375, 0.7265625], [0.5, 0.275390625, 0.724609375], [0.5, 0.27734375, 0.72265625], [0.5, 0.279296875, 0.720703125], [0.5, 0.28125, 0.71875], [0.5, 0.283203125, 0.716796875], [0.5, 0.28515625, 0.71484375], [0.5, 0.287109375, 0.712890625], [0.5, 0.2890625, 0.7109375], [0.5, 0.291015625, 0.708984375], [0.5, 0.29296875, 0.70703125], [0.5, 0.294921875, 0.705078125], [0.5, 0.296875, 0.703125], [0.5, 0.298828125, 0.701171875], [0.5, 0.30078125, 0.69921875], [0.5, 0.302734375, 0.697265625], [0.5, 0.3046875, 0.6953125], [0.5, 0.306640625, 0.693359375], [0.5, 0.30859375, 0.69140625], [0.5, 0.310546875, 0.689453125], [0.5, 0.3125, 0.6875], [0.5, 0.314453125, 0.685546875], [0.5, 0.31640625, 0.68359375], [0.5, 0.318359375, 0.681640625], [0.5, 0.3203125, 0.6796875], [0.5, 0.322265625, 0.677734375], [0.5, 0.32421875, 0.67578125], [0.5, 0.326171875, 0.673828125], [0.5, 0.328125, 0.671875], [0.5, 0.330078125, 0.669921875], [0.5, 0.33203125, 0.66796875], [0.5, 0.333984375, 0.666015625], [0.5, 0.3359375, 0.6640625], [0.5, 0.337890625, 0.662109375], [0.5, 0.33984375, 0.66015625], [0.5, 0.341796875, 0.658203125], [0.5, 0.34375, 0.65625], [0.5, 0.345703125, 0.654296875], [0.5, 0.34765625, 0.65234375], [0.5, 0.349609375, 0.650390625], [0.5, 0.3515625, 0.6484375], [0.5, 0.353515625, 0.646484375], [0.5, 0.35546875, 0.64453125], [0.5, 0.357421875, 0.642578125], [0.5, 0.359375, 0.640625], [0.5, 0.361328125, 0.638671875], [0.5, 0.36328125, 0.63671875], [0.5, 0.365234375, 0.634765625], [0.5, 0.3671875, 0.6328125], [0.5, 0.369140625, 0.630859375], [0.5, 0.37109375, 0.62890625], [0.5, 0.373046875, 0.626953125], [0.5, 0.375, 0.625], [0.5, 0.376953125, 0.623046875], [0.5, 0.37890625, 0.62109375], [0.5, 0.380859375, 0.619140625], [0.5, 0.3828125, 0.6171875], [0.5, 0.384765625, 0.615234375], [0.5, 0.38671875, 0.61328125], [0.5, 0.388671875, 0.611328125], [0.5, 0.390625, 0.609375], [0.5, 0.392578125, 0.607421875], [0.5, 0.39453125, 0.60546875], [0.5, 0.396484375, 0.603515625], [0.5, 0.3984375, 0.6015625], [0.5, 0.400390625, 0.599609375], [0.5, 0.40234375, 0.59765625], [0.5, 0.404296875, 0.595703125], [0.5, 0.40625, 0.59375], [0.5, 0.408203125, 0.591796875], [0.5, 0.41015625, 0.58984375], [0.5, 0.412109375, 0.587890625], [0.5, 0.4140625, 0.5859375], [0.5, 0.416015625, 0.583984375], [0.5, 0.41796875, 0.58203125], [0.5, 0.419921875, 0.580078125], [0.5, 0.421875, 0.578125], [0.5, 0.423828125, 0.576171875], [0.5, 0.42578125, 0.57421875], [0.5, 0.427734375, 0.572265625], [0.5, 0.4296875, 0.5703125], [0.5, 0.431640625, 0.568359375], [0.5, 0.43359375, 0.56640625], [0.5, 0.435546875, 0.564453125], [0.5, 0.4375, 0.5625], [0.5, 0.439453125, 0.560546875], [0.5, 0.44140625, 0.55859375], [0.5, 0.443359375, 0.556640625], [0.5, 0.4453125, 0.5546875], [0.5, 0.447265625, 0.552734375], [0.5, 0.44921875, 0.55078125], [0.5, 0.451171875, 0.548828125], [0.5, 0.453125, 0.546875], [0.5, 0.455078125, 0.544921875], [0.5, 0.45703125, 0.54296875], [0.5, 0.458984375, 0.541015625], [0.5, 0.4609375, 0.5390625], [0.5, 0.462890625, 0.537109375], [0.5, 0.46484375, 0.53515625], [0.5, 0.466796875, 0.533203125], [0.5, 0.46875, 0.53125], [0.5, 0.470703125, 0.529296875], [0.5, 0.47265625, 0.52734375], [0.5, 0.474609375, 0.525390625], [0.5, 0.4765625, 0.5234375], [0.5, 0.478515625, 0.521484375], [0.5, 0.48046875, 0.51953125], [0.5, 0.482421875, 0.517578125], [0.5, 0.484375, 0.515625], [0.5, 0.486328125, 0.513671875], [0.5, 0.48828125, 0.51171875], [0.5, 0.490234375, 0.509765625], [0.5, 0.4921875, 0.5078125], [0.5, 0.494140625, 0.505859375], [0.5, 0.49609375, 0.50390625], [0.5, 0.498046875, 0.501953125], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.498873873874, 0.498873873874, 0.502252252252], [0.497747747748, 0.497747747748, 0.504504504505], [0.496621621622, 0.496621621622, 0.506756756757], [0.495495495495, 0.495495495495, 0.509009009009], [0.494369369369, 0.494369369369, 0.511261261261], [0.493243243243, 0.493243243243, 0.513513513514], [0.492117117117, 0.492117117117, 0.515765765766], [0.490990990991, 0.490990990991, 0.518018018018], [0.489864864865, 0.489864864865, 0.52027027027], [0.488738738739, 0.488738738739, 0.522522522523], [0.487612612613, 0.487612612613, 0.524774774775], [0.486486486486, 0.486486486486, 0.527027027027], [0.48536036036, 0.48536036036, 0.529279279279], [0.484234234234, 0.484234234234, 0.531531531532], [0.483108108108, 0.483108108108, 0.533783783784], [0.481981981982, 0.481981981982, 0.536036036036], [0.480855855856, 0.480855855856, 0.538288288288], [0.47972972973, 0.47972972973, 0.540540540541], [0.478603603604, 0.478603603604, 0.542792792793], [0.477477477477, 0.477477477477, 0.545045045045], [0.476351351351, 0.476351351351, 0.547297297297], [0.475225225225, 0.475225225225, 0.54954954955], [0.474099099099, 0.474099099099, 0.551801801802], [0.472972972973, 0.472972972973, 0.554054054054], [0.471846846847, 0.471846846847, 0.556306306306], [0.470720720721, 0.470720720721, 0.558558558559], [0.469594594595, 0.469594594595, 0.560810810811], [0.468468468468, 0.468468468468, 0.563063063063], [0.467342342342, 0.467342342342, 0.565315315315], [0.466216216216, 0.466216216216, 0.567567567568], [0.46509009009, 0.46509009009, 0.56981981982], [0.463963963964, 0.463963963964, 0.572072072072], [0.462837837838, 0.462837837838, 0.574324324324], [0.461711711712, 0.461711711712, 0.576576576577], [0.460585585586, 0.460585585586, 0.578828828829], [0.459459459459, 0.459459459459, 0.581081081081], [0.458333333333, 0.458333333333, 0.583333333333], [0.457207207207, 0.457207207207, 0.585585585586], [0.456081081081, 0.456081081081, 0.587837837838], [0.454954954955, 0.454954954955, 0.59009009009], [0.453828828829, 0.453828828829, 0.592342342342], [0.452702702703, 0.452702702703, 0.594594594595], [0.451576576577, 0.451576576577, 0.596846846847], [0.45045045045, 0.45045045045, 0.599099099099], [0.449324324324, 0.449324324324, 0.601351351351], [0.448198198198, 0.448198198198, 0.603603603604], [0.447072072072, 0.447072072072, 0.605855855856], [0.445945945946, 0.445945945946, 0.608108108108], [0.44481981982, 0.44481981982, 0.61036036036], [0.443693693694, 0.443693693694, 0.612612612613], [0.442567567568, 0.442567567568, 0.614864864865], [0.441441441441, 0.441441441441, 0.617117117117], [0.440315315315, 0.440315315315, 0.619369369369], [0.439189189189, 0.439189189189, 0.621621621622], [0.438063063063, 0.438063063063, 0.623873873874], [0.436936936937, 0.436936936937, 0.626126126126], [0.435810810811, 0.435810810811, 0.628378378378], [0.434684684685, 0.434684684685, 0.630630630631], [0.433558558559, 0.433558558559, 0.632882882883], [0.432432432432, 0.432432432432, 0.635135135135], [0.431306306306, 0.431306306306, 0.637387387387], [0.43018018018, 0.43018018018, 0.63963963964], [0.429054054054, 0.429054054054, 0.641891891892], [0.427927927928, 0.427927927928, 0.644144144144], [0.426801801802, 0.426801801802, 0.646396396396], [0.425675675676, 0.425675675676, 0.648648648649], [0.42454954955, 0.42454954955, 0.650900900901], [0.423423423423, 0.423423423423, 0.653153153153], [0.422297297297, 0.422297297297, 0.655405405405], [0.421171171171, 0.421171171171, 0.657657657658], [0.420045045045, 0.420045045045, 0.65990990991], [0.418918918919, 0.418918918919, 0.662162162162], [0.417792792793, 0.417792792793, 0.664414414414], [0.416666666667, 0.416666666667, 0.666666666667], [0.415540540541, 0.415540540541, 0.668918918919], [0.414414414414, 0.414414414414, 0.671171171171], [0.413288288288, 0.413288288288, 0.673423423423], [0.412162162162, 0.412162162162, 0.675675675676], [0.411036036036, 0.411036036036, 0.677927927928], [0.40990990991, 0.40990990991, 0.68018018018], [0.408783783784, 0.408783783784, 0.682432432432], [0.407657657658, 0.407657657658, 0.684684684685], [0.406531531532, 0.406531531532, 0.686936936937], [0.405405405405, 0.405405405405, 0.689189189189], [0.404279279279, 0.404279279279, 0.691441441441], [0.403153153153, 0.403153153153, 0.693693693694], [0.402027027027, 0.402027027027, 0.695945945946], [0.400900900901, 0.400900900901, 0.698198198198], [0.399774774775, 0.399774774775, 0.70045045045], [0.398648648649, 0.398648648649, 0.702702702703], [0.397522522523, 0.397522522523, 0.704954954955], [0.396396396396, 0.396396396396, 0.707207207207], [0.39527027027, 0.39527027027, 0.709459459459], [0.394144144144, 0.394144144144, 0.711711711712], [0.393018018018, 0.393018018018, 0.713963963964], [0.391891891892, 0.391891891892, 0.716216216216], [0.390765765766, 0.390765765766, 0.718468468468], [0.38963963964, 0.38963963964, 0.720720720721], [0.388513513514, 0.388513513514, 0.722972972973], [0.387387387387, 0.387387387387, 0.725225225225], [0.386261261261, 0.386261261261, 0.727477477477], [0.385135135135, 0.385135135135, 0.72972972973], [0.384009009009, 0.384009009009, 0.731981981982], [0.382882882883, 0.382882882883, 0.734234234234], [0.381756756757, 0.381756756757, 0.736486486486], [0.380630630631, 0.380630630631, 0.738738738739], [0.379504504505, 0.379504504505, 0.740990990991], [0.378378378378, 0.378378378378, 0.743243243243], [0.377252252252, 0.377252252252, 0.745495495495], [0.376126126126, 0.376126126126, 0.747747747748], [0.375, 0.375, 0.75], [0.625, 0.25, 0.625], [0.623046875, 0.24609375, 0.623046875], [0.62109375, 0.2421875, 0.62109375], [0.619140625, 0.23828125, 0.619140625], [0.6171875, 0.234375, 0.6171875], [0.615234375, 0.23046875, 0.615234375], [0.61328125, 0.2265625, 0.61328125], [0.611328125, 0.22265625, 0.611328125], [0.609375, 0.21875, 0.609375], [0.607421875, 0.21484375, 0.607421875], [0.60546875, 0.2109375, 0.60546875], [0.603515625, 0.20703125, 0.603515625], [0.6015625, 0.203125, 0.6015625], [0.599609375, 0.19921875, 0.599609375], [0.59765625, 0.1953125, 0.59765625], [0.595703125, 0.19140625, 0.595703125], [0.59375, 0.1875, 0.59375], [0.591796875, 0.18359375, 0.591796875], [0.58984375, 0.1796875, 0.58984375], [0.587890625, 0.17578125, 0.587890625], [0.5859375, 0.171875, 0.5859375], [0.583984375, 0.16796875, 0.583984375], [0.58203125, 0.1640625, 0.58203125], [0.580078125, 0.16015625, 0.580078125], [0.578125, 0.15625, 0.578125], [0.576171875, 0.15234375, 0.576171875], [0.57421875, 0.1484375, 0.57421875], [0.572265625, 0.14453125, 0.572265625], [0.5703125, 0.140625, 0.5703125], [0.568359375, 0.13671875, 0.568359375], [0.56640625, 0.1328125, 0.56640625], [0.564453125, 0.12890625, 0.564453125], [0.5625, 0.125, 0.5625], [0.560546875, 0.12109375, 0.560546875], [0.55859375, 0.1171875, 0.55859375], [0.556640625, 0.11328125, 0.556640625], [0.5546875, 0.109375, 0.5546875], [0.552734375, 0.10546875, 0.552734375], [0.55078125, 0.1015625, 0.55078125], [0.548828125, 0.09765625, 0.548828125], [0.546875, 0.09375, 0.546875], [0.544921875, 0.08984375, 0.544921875], [0.54296875, 0.0859375, 0.54296875], [0.541015625, 0.08203125, 0.541015625], [0.5390625, 0.078125, 0.5390625], [0.537109375, 0.07421875, 0.537109375], [0.53515625, 0.0703125, 0.53515625], [0.533203125, 0.06640625, 0.533203125], [0.53125, 0.0625, 0.53125], [0.529296875, 0.05859375, 0.529296875], [0.52734375, 0.0546875, 0.52734375], [0.525390625, 0.05078125, 0.525390625], [0.5234375, 0.046875, 0.5234375], [0.521484375, 0.04296875, 0.521484375], [0.51953125, 0.0390625, 0.51953125], [0.517578125, 0.03515625, 0.517578125], [0.515625, 0.03125, 0.515625], [0.513671875, 0.02734375, 0.513671875], [0.51171875, 0.0234375, 0.51171875], [0.509765625, 0.01953125, 0.509765625], [0.5078125, 0.015625, 0.5078125], [0.505859375, 0.01171875, 0.505859375], [0.50390625, 0.0078125, 0.50390625], [0.501953125, 0.00390625, 0.501953125], [0.5, 3.08170657591e-17, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "X", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "W", "W", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "U", "U", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "W", "W", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "U", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 2, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": false, "LWAVE": false, "NBANDS": 17, "NELM": 100, "NELMIN": 3, "NGX": 22, "NGY": 22, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: fe", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 969, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.030303030303, 0.0, 0.0], [0.0606060606061, 0.0, 0.0], [0.0909090909091, 0.0, 0.0], [0.121212121212, 0.0, 0.0], [0.151515151515, 0.0, 0.0], [0.181818181818, 0.0, 0.0], [0.212121212121, 0.0, 0.0], [0.242424242424, 0.0, 0.0], [0.272727272727, 0.0, 0.0], [0.30303030303, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.363636363636, 0.0, 0.0], [0.393939393939, 0.0, 0.0], [0.424242424242, 0.0, 0.0], [0.454545454545, 0.0, 0.0], [0.484848484848, 0.0, 0.0], [0.030303030303, 0.030303030303, 0.0], [0.0606060606061, 0.030303030303, 0.0], [0.0909090909091, 0.030303030303, 0.0], [0.121212121212, 0.030303030303, 0.0], [0.151515151515, 0.030303030303, 0.0], [0.181818181818, 0.030303030303, 0.0], [0.212121212121, 0.030303030303, 0.0], [0.242424242424, 0.030303030303, 0.0], [0.272727272727, 0.030303030303, 0.0], [0.30303030303, 0.030303030303, 0.0], [0.333333333333, 0.030303030303, 0.0], [0.363636363636, 0.030303030303, 0.0], [0.393939393939, 0.030303030303, 0.0], [0.424242424242, 0.030303030303, 0.0], [0.454545454545, 0.030303030303, 0.0], [0.484848484848, 0.030303030303, 0.0], [-0.484848484848, 0.030303030303, 0.0], [-0.454545454545, 0.030303030303, 0.0], [-0.424242424242, 0.030303030303, 0.0], [-0.393939393939, 0.030303030303, 0.0], [-0.363636363636, 0.030303030303, 0.0], [-0.333333333333, 0.030303030303, 0.0], [-0.30303030303, 0.030303030303, 0.0], [-0.272727272727, 0.030303030303, 0.0], [-0.242424242424, 0.030303030303, 0.0], [-0.212121212121, 0.030303030303, 0.0], [-0.181818181818, 0.030303030303, 0.0], [-0.151515151515, 0.030303030303, 0.0], [-0.121212121212, 0.030303030303, 0.0], [-0.0909090909091, 0.030303030303, 0.0], [-0.0606060606061, 0.030303030303, 0.0], [-0.030303030303, 0.030303030303, 0.0], [0.0606060606061, 0.0606060606061, 0.0], [0.0909090909091, 0.0606060606061, 0.0], [0.121212121212, 0.0606060606061, 0.0], [0.151515151515, 0.0606060606061, 0.0], [0.181818181818, 0.0606060606061, 0.0], [0.212121212121, 0.0606060606061, 0.0], [0.242424242424, 0.0606060606061, 0.0], [0.272727272727, 0.0606060606061, 0.0], [0.30303030303, 0.0606060606061, 0.0], [0.333333333333, 0.0606060606061, 0.0], [0.363636363636, 0.0606060606061, 0.0], [0.393939393939, 0.0606060606061, 0.0], [0.424242424242, 0.0606060606061, 0.0], [0.454545454545, 0.0606060606061, 0.0], [0.484848484848, 0.0606060606061, 0.0], [-0.484848484848, 0.0606060606061, 0.0], [-0.454545454545, 0.0606060606061, 0.0], [-0.424242424242, 0.0606060606061, 0.0], [-0.393939393939, 0.0606060606061, 0.0], [-0.363636363636, 0.0606060606061, 0.0], [-0.333333333333, 0.0606060606061, 0.0], [-0.30303030303, 0.0606060606061, 0.0], [-0.272727272727, 0.0606060606061, 0.0], [-0.242424242424, 0.0606060606061, 0.0], [-0.212121212121, 0.0606060606061, 0.0], [-0.181818181818, 0.0606060606061, 0.0], [-0.151515151515, 0.0606060606061, 0.0], [-0.121212121212, 0.0606060606061, 0.0], [-0.0909090909091, 0.0606060606061, 0.0], [-0.0606060606061, 0.0606060606061, 0.0], [0.0909090909091, 0.0909090909091, 0.0], [0.121212121212, 0.0909090909091, 0.0], [0.151515151515, 0.0909090909091, 0.0], [0.181818181818, 0.0909090909091, 0.0], [0.212121212121, 0.0909090909091, 0.0], [0.242424242424, 0.0909090909091, 0.0], [0.272727272727, 0.0909090909091, 0.0], [0.30303030303, 0.0909090909091, 0.0], [0.333333333333, 0.0909090909091, 0.0], [0.363636363636, 0.0909090909091, 0.0], [0.393939393939, 0.0909090909091, 0.0], [0.424242424242, 0.0909090909091, 0.0], [0.454545454545, 0.0909090909091, 0.0], [0.484848484848, 0.0909090909091, 0.0], [-0.484848484848, 0.0909090909091, 0.0], [-0.454545454545, 0.0909090909091, 0.0], [-0.424242424242, 0.0909090909091, 0.0], [-0.393939393939, 0.0909090909091, 0.0], [-0.363636363636, 0.0909090909091, 0.0], [-0.333333333333, 0.0909090909091, 0.0], [-0.30303030303, 0.0909090909091, 0.0], [-0.272727272727, 0.0909090909091, 0.0], [-0.242424242424, 0.0909090909091, 0.0], [-0.212121212121, 0.0909090909091, 0.0], [-0.181818181818, 0.0909090909091, 0.0], [-0.151515151515, 0.0909090909091, 0.0], [-0.121212121212, 0.0909090909091, 0.0], [-0.0909090909091, 0.0909090909091, 0.0], [0.121212121212, 0.121212121212, 0.0], [0.151515151515, 0.121212121212, 0.0], [0.181818181818, 0.121212121212, 0.0], [0.212121212121, 0.121212121212, 0.0], [0.242424242424, 0.121212121212, 0.0], [0.272727272727, 0.121212121212, 0.0], [0.30303030303, 0.121212121212, 0.0], [0.333333333333, 0.121212121212, 0.0], [0.363636363636, 0.121212121212, 0.0], [0.393939393939, 0.121212121212, 0.0], [0.424242424242, 0.121212121212, 0.0], [0.454545454545, 0.121212121212, 0.0], [0.484848484848, 0.121212121212, 0.0], [-0.484848484848, 0.121212121212, 0.0], [-0.454545454545, 0.121212121212, 0.0], [-0.424242424242, 0.121212121212, 0.0], [-0.393939393939, 0.121212121212, 0.0], [-0.363636363636, 0.121212121212, 0.0], [-0.333333333333, 0.121212121212, 0.0], [-0.30303030303, 0.121212121212, 0.0], [-0.272727272727, 0.121212121212, 0.0], [-0.242424242424, 0.121212121212, 0.0], [-0.212121212121, 0.121212121212, 0.0], [-0.181818181818, 0.121212121212, 0.0], [-0.151515151515, 0.121212121212, 0.0], [-0.121212121212, 0.121212121212, 0.0], [0.151515151515, 0.151515151515, 0.0], [0.181818181818, 0.151515151515, 0.0], [0.212121212121, 0.151515151515, 0.0], [0.242424242424, 0.151515151515, 0.0], [0.272727272727, 0.151515151515, 0.0], [0.30303030303, 0.151515151515, 0.0], [0.333333333333, 0.151515151515, 0.0], [0.363636363636, 0.151515151515, 0.0], [0.393939393939, 0.151515151515, 0.0], [0.424242424242, 0.151515151515, 0.0], [0.454545454545, 0.151515151515, 0.0], [0.484848484848, 0.151515151515, 0.0], [-0.484848484848, 0.151515151515, 0.0], [-0.454545454545, 0.151515151515, 0.0], [-0.424242424242, 0.151515151515, 0.0], [-0.393939393939, 0.151515151515, 0.0], [-0.363636363636, 0.151515151515, 0.0], [-0.333333333333, 0.151515151515, 0.0], [-0.30303030303, 0.151515151515, 0.0], [-0.272727272727, 0.151515151515, 0.0], [-0.242424242424, 0.151515151515, 0.0], [-0.212121212121, 0.151515151515, 0.0], [-0.181818181818, 0.151515151515, 0.0], [-0.151515151515, 0.151515151515, 0.0], [0.181818181818, 0.181818181818, 0.0], [0.212121212121, 0.181818181818, 0.0], [0.242424242424, 0.181818181818, 0.0], [0.272727272727, 0.181818181818, 0.0], [0.30303030303, 0.181818181818, 0.0], [0.333333333333, 0.181818181818, 0.0], [0.363636363636, 0.181818181818, 0.0], [0.393939393939, 0.181818181818, 0.0], [0.424242424242, 0.181818181818, 0.0], [0.454545454545, 0.181818181818, 0.0], [0.484848484848, 0.181818181818, 0.0], [-0.484848484848, 0.181818181818, 0.0], [-0.454545454545, 0.181818181818, 0.0], [-0.424242424242, 0.181818181818, 0.0], [-0.393939393939, 0.181818181818, 0.0], [-0.363636363636, 0.181818181818, 0.0], [-0.333333333333, 0.181818181818, 0.0], [-0.30303030303, 0.181818181818, 0.0], [-0.272727272727, 0.181818181818, 0.0], [-0.242424242424, 0.181818181818, 0.0], [-0.212121212121, 0.181818181818, 0.0], [-0.181818181818, 0.181818181818, 0.0], [0.212121212121, 0.212121212121, 0.0], [0.242424242424, 0.212121212121, 0.0], [0.272727272727, 0.212121212121, 0.0], [0.30303030303, 0.212121212121, 0.0], [0.333333333333, 0.212121212121, 0.0], [0.363636363636, 0.212121212121, 0.0], [0.393939393939, 0.212121212121, 0.0], [0.424242424242, 0.212121212121, 0.0], [0.454545454545, 0.212121212121, 0.0], [0.484848484848, 0.212121212121, 0.0], [-0.484848484848, 0.212121212121, 0.0], [-0.454545454545, 0.212121212121, 0.0], [-0.424242424242, 0.212121212121, 0.0], [-0.393939393939, 0.212121212121, 0.0], [-0.363636363636, 0.212121212121, 0.0], [-0.333333333333, 0.212121212121, 0.0], [-0.30303030303, 0.212121212121, 0.0], [-0.272727272727, 0.212121212121, 0.0], [-0.242424242424, 0.212121212121, 0.0], [-0.212121212121, 0.212121212121, 0.0], [0.242424242424, 0.242424242424, 0.0], [0.272727272727, 0.242424242424, 0.0], [0.30303030303, 0.242424242424, 0.0], [0.333333333333, 0.242424242424, 0.0], [0.363636363636, 0.242424242424, 0.0], [0.393939393939, 0.242424242424, 0.0], [0.424242424242, 0.242424242424, 0.0], [0.454545454545, 0.242424242424, 0.0], [0.484848484848, 0.242424242424, 0.0], [-0.484848484848, 0.242424242424, 0.0], [-0.454545454545, 0.242424242424, 0.0], [-0.424242424242, 0.242424242424, 0.0], [-0.393939393939, 0.242424242424, 0.0], [-0.363636363636, 0.242424242424, 0.0], [-0.333333333333, 0.242424242424, 0.0], [-0.30303030303, 0.242424242424, 0.0], [-0.272727272727, 0.242424242424, 0.0], [-0.242424242424, 0.242424242424, 0.0], [0.272727272727, 0.272727272727, 0.0], [0.30303030303, 0.272727272727, 0.0], [0.333333333333, 0.272727272727, 0.0], [0.363636363636, 0.272727272727, 0.0], [0.393939393939, 0.272727272727, 0.0], [0.424242424242, 0.272727272727, 0.0], [0.454545454545, 0.272727272727, 0.0], [0.484848484848, 0.272727272727, 0.0], [-0.484848484848, 0.272727272727, 0.0], [-0.454545454545, 0.272727272727, 0.0], [-0.424242424242, 0.272727272727, 0.0], [-0.393939393939, 0.272727272727, 0.0], [-0.363636363636, 0.272727272727, 0.0], [-0.333333333333, 0.272727272727, 0.0], [-0.30303030303, 0.272727272727, 0.0], [-0.272727272727, 0.272727272727, 0.0], [0.30303030303, 0.30303030303, 0.0], [0.333333333333, 0.30303030303, 0.0], [0.363636363636, 0.30303030303, 0.0], [0.393939393939, 0.30303030303, 0.0], [0.424242424242, 0.30303030303, 0.0], [0.454545454545, 0.30303030303, 0.0], [0.484848484848, 0.30303030303, 0.0], [-0.484848484848, 0.30303030303, 0.0], [-0.454545454545, 0.30303030303, 0.0], [-0.424242424242, 0.30303030303, 0.0], [-0.393939393939, 0.30303030303, 0.0], [-0.363636363636, 0.30303030303, 0.0], [-0.333333333333, 0.30303030303, 0.0], [-0.30303030303, 0.30303030303, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.363636363636, 0.333333333333, 0.0], [0.393939393939, 0.333333333333, 0.0], [0.424242424242, 0.333333333333, 0.0], [0.454545454545, 0.333333333333, 0.0], [0.484848484848, 0.333333333333, 0.0], [-0.484848484848, 0.333333333333, 0.0], [-0.454545454545, 0.333333333333, 0.0], [-0.424242424242, 0.333333333333, 0.0], [-0.393939393939, 0.333333333333, 0.0], [-0.363636363636, 0.333333333333, 0.0], [-0.333333333333, 0.333333333333, 0.0], [0.363636363636, 0.363636363636, 0.0], [0.393939393939, 0.363636363636, 0.0], [0.424242424242, 0.363636363636, 0.0], [0.454545454545, 0.363636363636, 0.0], [0.484848484848, 0.363636363636, 0.0], [-0.484848484848, 0.363636363636, 0.0], [-0.454545454545, 0.363636363636, 0.0], [-0.424242424242, 0.363636363636, 0.0], [-0.393939393939, 0.363636363636, 0.0], [-0.363636363636, 0.363636363636, 0.0], [0.393939393939, 0.393939393939, 0.0], [0.424242424242, 0.393939393939, 0.0], [0.454545454545, 0.393939393939, 0.0], [0.484848484848, 0.393939393939, 0.0], [-0.484848484848, 0.393939393939, 0.0], [-0.454545454545, 0.393939393939, 0.0], [-0.424242424242, 0.393939393939, 0.0], [-0.393939393939, 0.393939393939, 0.0], [0.424242424242, 0.424242424242, 0.0], [0.454545454545, 0.424242424242, 0.0], [0.484848484848, 0.424242424242, 0.0], [-0.484848484848, 0.424242424242, 0.0], [-0.454545454545, 0.424242424242, 0.0], [-0.424242424242, 0.424242424242, 0.0], [0.454545454545, 0.454545454545, 0.0], [0.484848484848, 0.454545454545, 0.0], [-0.484848484848, 0.454545454545, 0.0], [-0.454545454545, 0.454545454545, 0.0], [0.484848484848, 0.484848484848, 0.0], [-0.484848484848, 0.484848484848, 0.0], [0.0909090909091, 0.0606060606061, 0.030303030303], [0.121212121212, 0.0606060606061, 0.030303030303], [0.151515151515, 0.0606060606061, 0.030303030303], [0.181818181818, 0.0606060606061, 0.030303030303], [0.212121212121, 0.0606060606061, 0.030303030303], [0.242424242424, 0.0606060606061, 0.030303030303], [0.272727272727, 0.0606060606061, 0.030303030303], [0.30303030303, 0.0606060606061, 0.030303030303], [0.333333333333, 0.0606060606061, 0.030303030303], [0.363636363636, 0.0606060606061, 0.030303030303], [0.393939393939, 0.0606060606061, 0.030303030303], [0.424242424242, 0.0606060606061, 0.030303030303], [0.454545454545, 0.0606060606061, 0.030303030303], [0.484848484848, 0.0606060606061, 0.030303030303], [-0.484848484848, 0.0606060606061, 0.030303030303], [0.121212121212, 0.0909090909091, 0.030303030303], [0.151515151515, 0.0909090909091, 0.030303030303], [0.181818181818, 0.0909090909091, 0.030303030303], [0.212121212121, 0.0909090909091, 0.030303030303], [0.242424242424, 0.0909090909091, 0.030303030303], [0.272727272727, 0.0909090909091, 0.030303030303], [0.30303030303, 0.0909090909091, 0.030303030303], [0.333333333333, 0.0909090909091, 0.030303030303], [0.363636363636, 0.0909090909091, 0.030303030303], [0.393939393939, 0.0909090909091, 0.030303030303], [0.424242424242, 0.0909090909091, 0.030303030303], [0.454545454545, 0.0909090909091, 0.030303030303], [0.484848484848, 0.0909090909091, 0.030303030303], [-0.484848484848, 0.0909090909091, 0.030303030303], [-0.454545454545, 0.0909090909091, 0.030303030303], [-0.424242424242, 0.0909090909091, 0.030303030303], [-0.393939393939, 0.0909090909091, 0.030303030303], [-0.363636363636, 0.0909090909091, 0.030303030303], [-0.333333333333, 0.0909090909091, 0.030303030303], [-0.30303030303, 0.0909090909091, 0.030303030303], [-0.272727272727, 0.0909090909091, 0.030303030303], [-0.242424242424, 0.0909090909091, 0.030303030303], [-0.212121212121, 0.0909090909091, 0.030303030303], [-0.181818181818, 0.0909090909091, 0.030303030303], [-0.151515151515, 0.0909090909091, 0.030303030303], [-0.121212121212, 0.0909090909091, 0.030303030303], [-0.0909090909091, 0.0909090909091, 0.030303030303], [-0.0606060606061, 0.0909090909091, 0.030303030303], [0.151515151515, 0.121212121212, 0.030303030303], [0.181818181818, 0.121212121212, 0.030303030303], [0.212121212121, 0.121212121212, 0.030303030303], [0.242424242424, 0.121212121212, 0.030303030303], [0.272727272727, 0.121212121212, 0.030303030303], [0.30303030303, 0.121212121212, 0.030303030303], [0.333333333333, 0.121212121212, 0.030303030303], [0.363636363636, 0.121212121212, 0.030303030303], [0.393939393939, 0.121212121212, 0.030303030303], [0.424242424242, 0.121212121212, 0.030303030303], [0.454545454545, 0.121212121212, 0.030303030303], [0.484848484848, 0.121212121212, 0.030303030303], [-0.484848484848, 0.121212121212, 0.030303030303], [-0.454545454545, 0.121212121212, 0.030303030303], [-0.424242424242, 0.121212121212, 0.030303030303], [-0.393939393939, 0.121212121212, 0.030303030303], [-0.363636363636, 0.121212121212, 0.030303030303], [-0.333333333333, 0.121212121212, 0.030303030303], [-0.30303030303, 0.121212121212, 0.030303030303], [-0.272727272727, 0.121212121212, 0.030303030303], [-0.242424242424, 0.121212121212, 0.030303030303], [-0.212121212121, 0.121212121212, 0.030303030303], [-0.181818181818, 0.121212121212, 0.030303030303], [-0.151515151515, 0.121212121212, 0.030303030303], [-0.121212121212, 0.121212121212, 0.030303030303], [-0.0909090909091, 0.121212121212, 0.030303030303], [0.181818181818, 0.151515151515, 0.030303030303], [0.212121212121, 0.151515151515, 0.030303030303], [0.242424242424, 0.151515151515, 0.030303030303], [0.272727272727, 0.151515151515, 0.030303030303], [0.30303030303, 0.151515151515, 0.030303030303], [0.333333333333, 0.151515151515, 0.030303030303], [0.363636363636, 0.151515151515, 0.030303030303], [0.393939393939, 0.151515151515, 0.030303030303], [0.424242424242, 0.151515151515, 0.030303030303], [0.454545454545, 0.151515151515, 0.030303030303], [0.484848484848, 0.151515151515, 0.030303030303], [-0.484848484848, 0.151515151515, 0.030303030303], [-0.454545454545, 0.151515151515, 0.030303030303], [-0.424242424242, 0.151515151515, 0.030303030303], [-0.393939393939, 0.151515151515, 0.030303030303], [-0.363636363636, 0.151515151515, 0.030303030303], [-0.333333333333, 0.151515151515, 0.030303030303], [-0.30303030303, 0.151515151515, 0.030303030303], [-0.272727272727, 0.151515151515, 0.030303030303], [-0.242424242424, 0.151515151515, 0.030303030303], [-0.212121212121, 0.151515151515, 0.030303030303], [-0.181818181818, 0.151515151515, 0.030303030303], [-0.151515151515, 0.151515151515, 0.030303030303], [-0.121212121212, 0.151515151515, 0.030303030303], [0.212121212121, 0.181818181818, 0.030303030303], [0.242424242424, 0.181818181818, 0.030303030303], [0.272727272727, 0.181818181818, 0.030303030303], [0.30303030303, 0.181818181818, 0.030303030303], [0.333333333333, 0.181818181818, 0.030303030303], [0.363636363636, 0.181818181818, 0.030303030303], [0.393939393939, 0.181818181818, 0.030303030303], [0.424242424242, 0.181818181818, 0.030303030303], [0.454545454545, 0.181818181818, 0.030303030303], [0.484848484848, 0.181818181818, 0.030303030303], [-0.484848484848, 0.181818181818, 0.030303030303], [-0.454545454545, 0.181818181818, 0.030303030303], [-0.424242424242, 0.181818181818, 0.030303030303], [-0.393939393939, 0.181818181818, 0.030303030303], [-0.363636363636, 0.181818181818, 0.030303030303], [-0.333333333333, 0.181818181818, 0.030303030303], [-0.30303030303, 0.181818181818, 0.030303030303], [-0.272727272727, 0.181818181818, 0.030303030303], [-0.242424242424, 0.181818181818, 0.030303030303], [-0.212121212121, 0.181818181818, 0.030303030303], [-0.181818181818, 0.181818181818, 0.030303030303], [-0.151515151515, 0.181818181818, 0.030303030303], [0.242424242424, 0.212121212121, 0.030303030303], [0.272727272727, 0.212121212121, 0.030303030303], [0.30303030303, 0.212121212121, 0.030303030303], [0.333333333333, 0.212121212121, 0.030303030303], [0.363636363636, 0.212121212121, 0.030303030303], [0.393939393939, 0.212121212121, 0.030303030303], [0.424242424242, 0.212121212121, 0.030303030303], [0.454545454545, 0.212121212121, 0.030303030303], [0.484848484848, 0.212121212121, 0.030303030303], [-0.484848484848, 0.212121212121, 0.030303030303], [-0.454545454545, 0.212121212121, 0.030303030303], [-0.424242424242, 0.212121212121, 0.030303030303], [-0.393939393939, 0.212121212121, 0.030303030303], [-0.363636363636, 0.212121212121, 0.030303030303], [-0.333333333333, 0.212121212121, 0.030303030303], [-0.30303030303, 0.212121212121, 0.030303030303], [-0.272727272727, 0.212121212121, 0.030303030303], [-0.242424242424, 0.212121212121, 0.030303030303], [-0.212121212121, 0.212121212121, 0.030303030303], [-0.181818181818, 0.212121212121, 0.030303030303], [0.272727272727, 0.242424242424, 0.030303030303], [0.30303030303, 0.242424242424, 0.030303030303], [0.333333333333, 0.242424242424, 0.030303030303], [0.363636363636, 0.242424242424, 0.030303030303], [0.393939393939, 0.242424242424, 0.030303030303], [0.424242424242, 0.242424242424, 0.030303030303], [0.454545454545, 0.242424242424, 0.030303030303], [0.484848484848, 0.242424242424, 0.030303030303], [-0.484848484848, 0.242424242424, 0.030303030303], [-0.454545454545, 0.242424242424, 0.030303030303], [-0.424242424242, 0.242424242424, 0.030303030303], [-0.393939393939, 0.242424242424, 0.030303030303], [-0.363636363636, 0.242424242424, 0.030303030303], [-0.333333333333, 0.242424242424, 0.030303030303], [-0.30303030303, 0.242424242424, 0.030303030303], [-0.272727272727, 0.242424242424, 0.030303030303], [-0.242424242424, 0.242424242424, 0.030303030303], [-0.212121212121, 0.242424242424, 0.030303030303], [0.30303030303, 0.272727272727, 0.030303030303], [0.333333333333, 0.272727272727, 0.030303030303], [0.363636363636, 0.272727272727, 0.030303030303], [0.393939393939, 0.272727272727, 0.030303030303], [0.424242424242, 0.272727272727, 0.030303030303], [0.454545454545, 0.272727272727, 0.030303030303], [0.484848484848, 0.272727272727, 0.030303030303], [-0.484848484848, 0.272727272727, 0.030303030303], [-0.454545454545, 0.272727272727, 0.030303030303], [-0.424242424242, 0.272727272727, 0.030303030303], [-0.393939393939, 0.272727272727, 0.030303030303], [-0.363636363636, 0.272727272727, 0.030303030303], [-0.333333333333, 0.272727272727, 0.030303030303], [-0.30303030303, 0.272727272727, 0.030303030303], [-0.272727272727, 0.272727272727, 0.030303030303], [-0.242424242424, 0.272727272727, 0.030303030303], [0.333333333333, 0.30303030303, 0.030303030303], [0.363636363636, 0.30303030303, 0.030303030303], [0.393939393939, 0.30303030303, 0.030303030303], [0.424242424242, 0.30303030303, 0.030303030303], [0.454545454545, 0.30303030303, 0.030303030303], [0.484848484848, 0.30303030303, 0.030303030303], [-0.484848484848, 0.30303030303, 0.030303030303], [-0.454545454545, 0.30303030303, 0.030303030303], [-0.424242424242, 0.30303030303, 0.030303030303], [-0.393939393939, 0.30303030303, 0.030303030303], [-0.363636363636, 0.30303030303, 0.030303030303], [-0.333333333333, 0.30303030303, 0.030303030303], [-0.30303030303, 0.30303030303, 0.030303030303], [-0.272727272727, 0.30303030303, 0.030303030303], [0.363636363636, 0.333333333333, 0.030303030303], [0.393939393939, 0.333333333333, 0.030303030303], [0.424242424242, 0.333333333333, 0.030303030303], [0.454545454545, 0.333333333333, 0.030303030303], [0.484848484848, 0.333333333333, 0.030303030303], [-0.484848484848, 0.333333333333, 0.030303030303], [-0.454545454545, 0.333333333333, 0.030303030303], [-0.424242424242, 0.333333333333, 0.030303030303], [-0.393939393939, 0.333333333333, 0.030303030303], [-0.363636363636, 0.333333333333, 0.030303030303], [-0.333333333333, 0.333333333333, 0.030303030303], [-0.30303030303, 0.333333333333, 0.030303030303], [0.393939393939, 0.363636363636, 0.030303030303], [0.424242424242, 0.363636363636, 0.030303030303], [0.454545454545, 0.363636363636, 0.030303030303], [0.484848484848, 0.363636363636, 0.030303030303], [-0.484848484848, 0.363636363636, 0.030303030303], [-0.454545454545, 0.363636363636, 0.030303030303], [-0.424242424242, 0.363636363636, 0.030303030303], [-0.393939393939, 0.363636363636, 0.030303030303], [-0.363636363636, 0.363636363636, 0.030303030303], [-0.333333333333, 0.363636363636, 0.030303030303], [0.424242424242, 0.393939393939, 0.030303030303], [0.454545454545, 0.393939393939, 0.030303030303], [0.484848484848, 0.393939393939, 0.030303030303], [-0.484848484848, 0.393939393939, 0.030303030303], [-0.454545454545, 0.393939393939, 0.030303030303], [-0.424242424242, 0.393939393939, 0.030303030303], [-0.393939393939, 0.393939393939, 0.030303030303], [-0.363636363636, 0.393939393939, 0.030303030303], [0.454545454545, 0.424242424242, 0.030303030303], [0.484848484848, 0.424242424242, 0.030303030303], [-0.484848484848, 0.424242424242, 0.030303030303], [-0.454545454545, 0.424242424242, 0.030303030303], [-0.424242424242, 0.424242424242, 0.030303030303], [-0.393939393939, 0.424242424242, 0.030303030303], [0.484848484848, 0.454545454545, 0.030303030303], [-0.484848484848, 0.454545454545, 0.030303030303], [-0.454545454545, 0.454545454545, 0.030303030303], [-0.424242424242, 0.454545454545, 0.030303030303], [-0.484848484848, 0.484848484848, 0.030303030303], [-0.454545454545, 0.484848484848, 0.030303030303], [0.181818181818, 0.121212121212, 0.0606060606061], [0.212121212121, 0.121212121212, 0.0606060606061], [0.242424242424, 0.121212121212, 0.0606060606061], [0.272727272727, 0.121212121212, 0.0606060606061], [0.30303030303, 0.121212121212, 0.0606060606061], [0.333333333333, 0.121212121212, 0.0606060606061], [0.363636363636, 0.121212121212, 0.0606060606061], [0.393939393939, 0.121212121212, 0.0606060606061], [0.424242424242, 0.121212121212, 0.0606060606061], [0.454545454545, 0.121212121212, 0.0606060606061], [0.484848484848, 0.121212121212, 0.0606060606061], [-0.484848484848, 0.121212121212, 0.0606060606061], [-0.454545454545, 0.121212121212, 0.0606060606061], [0.212121212121, 0.151515151515, 0.0606060606061], [0.242424242424, 0.151515151515, 0.0606060606061], [0.272727272727, 0.151515151515, 0.0606060606061], [0.30303030303, 0.151515151515, 0.0606060606061], [0.333333333333, 0.151515151515, 0.0606060606061], [0.363636363636, 0.151515151515, 0.0606060606061], [0.393939393939, 0.151515151515, 0.0606060606061], [0.424242424242, 0.151515151515, 0.0606060606061], [0.454545454545, 0.151515151515, 0.0606060606061], [0.484848484848, 0.151515151515, 0.0606060606061], [-0.484848484848, 0.151515151515, 0.0606060606061], [-0.454545454545, 0.151515151515, 0.0606060606061], [-0.424242424242, 0.151515151515, 0.0606060606061], [-0.393939393939, 0.151515151515, 0.0606060606061], [-0.363636363636, 0.151515151515, 0.0606060606061], [-0.333333333333, 0.151515151515, 0.0606060606061], [-0.30303030303, 0.151515151515, 0.0606060606061], [-0.272727272727, 0.151515151515, 0.0606060606061], [-0.242424242424, 0.151515151515, 0.0606060606061], [-0.212121212121, 0.151515151515, 0.0606060606061], [-0.181818181818, 0.151515151515, 0.0606060606061], [-0.151515151515, 0.151515151515, 0.0606060606061], [-0.121212121212, 0.151515151515, 0.0606060606061], [-0.0909090909091, 0.151515151515, 0.0606060606061], [0.242424242424, 0.181818181818, 0.0606060606061], [0.272727272727, 0.181818181818, 0.0606060606061], [0.30303030303, 0.181818181818, 0.0606060606061], [0.333333333333, 0.181818181818, 0.0606060606061], [0.363636363636, 0.181818181818, 0.0606060606061], [0.393939393939, 0.181818181818, 0.0606060606061], [0.424242424242, 0.181818181818, 0.0606060606061], [0.454545454545, 0.181818181818, 0.0606060606061], [0.484848484848, 0.181818181818, 0.0606060606061], [-0.484848484848, 0.181818181818, 0.0606060606061], [-0.454545454545, 0.181818181818, 0.0606060606061], [-0.424242424242, 0.181818181818, 0.0606060606061], [-0.393939393939, 0.181818181818, 0.0606060606061], [-0.363636363636, 0.181818181818, 0.0606060606061], [-0.333333333333, 0.181818181818, 0.0606060606061], [-0.30303030303, 0.181818181818, 0.0606060606061], [-0.272727272727, 0.181818181818, 0.0606060606061], [-0.242424242424, 0.181818181818, 0.0606060606061], [-0.212121212121, 0.181818181818, 0.0606060606061], [-0.181818181818, 0.181818181818, 0.0606060606061], [-0.151515151515, 0.181818181818, 0.0606060606061], [-0.121212121212, 0.181818181818, 0.0606060606061], [0.272727272727, 0.212121212121, 0.0606060606061], [0.30303030303, 0.212121212121, 0.0606060606061], [0.333333333333, 0.212121212121, 0.0606060606061], [0.363636363636, 0.212121212121, 0.0606060606061], [0.393939393939, 0.212121212121, 0.0606060606061], [0.424242424242, 0.212121212121, 0.0606060606061], [0.454545454545, 0.212121212121, 0.0606060606061], [0.484848484848, 0.212121212121, 0.0606060606061], [-0.484848484848, 0.212121212121, 0.0606060606061], [-0.454545454545, 0.212121212121, 0.0606060606061], [-0.424242424242, 0.212121212121, 0.0606060606061], [-0.393939393939, 0.212121212121, 0.0606060606061], [-0.363636363636, 0.212121212121, 0.0606060606061], [-0.333333333333, 0.212121212121, 0.0606060606061], [-0.30303030303, 0.212121212121, 0.0606060606061], [-0.272727272727, 0.212121212121, 0.0606060606061], [-0.242424242424, 0.212121212121, 0.0606060606061], [-0.212121212121, 0.212121212121, 0.0606060606061], [-0.181818181818, 0.212121212121, 0.0606060606061], [-0.151515151515, 0.212121212121, 0.0606060606061], [0.30303030303, 0.242424242424, 0.0606060606061], [0.333333333333, 0.242424242424, 0.0606060606061], [0.363636363636, 0.242424242424, 0.0606060606061], [0.393939393939, 0.242424242424, 0.0606060606061], [0.424242424242, 0.242424242424, 0.0606060606061], [0.454545454545, 0.242424242424, 0.0606060606061], [0.484848484848, 0.242424242424, 0.0606060606061], [-0.484848484848, 0.242424242424, 0.0606060606061], [-0.454545454545, 0.242424242424, 0.0606060606061], [-0.424242424242, 0.242424242424, 0.0606060606061], [-0.393939393939, 0.242424242424, 0.0606060606061], [-0.363636363636, 0.242424242424, 0.0606060606061], [-0.333333333333, 0.242424242424, 0.0606060606061], [-0.30303030303, 0.242424242424, 0.0606060606061], [-0.272727272727, 0.242424242424, 0.0606060606061], [-0.242424242424, 0.242424242424, 0.0606060606061], [-0.212121212121, 0.242424242424, 0.0606060606061], [-0.181818181818, 0.242424242424, 0.0606060606061], [0.333333333333, 0.272727272727, 0.0606060606061], [0.363636363636, 0.272727272727, 0.0606060606061], [0.393939393939, 0.272727272727, 0.0606060606061], [0.424242424242, 0.272727272727, 0.0606060606061], [0.454545454545, 0.272727272727, 0.0606060606061], [0.484848484848, 0.272727272727, 0.0606060606061], [-0.484848484848, 0.272727272727, 0.0606060606061], [-0.454545454545, 0.272727272727, 0.0606060606061], [-0.424242424242, 0.272727272727, 0.0606060606061], [-0.393939393939, 0.272727272727, 0.0606060606061], [-0.363636363636, 0.272727272727, 0.0606060606061], [-0.333333333333, 0.272727272727, 0.0606060606061], [-0.30303030303, 0.272727272727, 0.0606060606061], [-0.272727272727, 0.272727272727, 0.0606060606061], [-0.242424242424, 0.272727272727, 0.0606060606061], [-0.212121212121, 0.272727272727, 0.0606060606061], [0.363636363636, 0.30303030303, 0.0606060606061], [0.393939393939, 0.30303030303, 0.0606060606061], [0.424242424242, 0.30303030303, 0.0606060606061], [0.454545454545, 0.30303030303, 0.0606060606061], [0.484848484848, 0.30303030303, 0.0606060606061], [-0.484848484848, 0.30303030303, 0.0606060606061], [-0.454545454545, 0.30303030303, 0.0606060606061], [-0.424242424242, 0.30303030303, 0.0606060606061], [-0.393939393939, 0.30303030303, 0.0606060606061], [-0.363636363636, 0.30303030303, 0.0606060606061], [-0.333333333333, 0.30303030303, 0.0606060606061], [-0.30303030303, 0.30303030303, 0.0606060606061], [-0.272727272727, 0.30303030303, 0.0606060606061], [-0.242424242424, 0.30303030303, 0.0606060606061], [0.393939393939, 0.333333333333, 0.0606060606061], [0.424242424242, 0.333333333333, 0.0606060606061], [0.454545454545, 0.333333333333, 0.0606060606061], [0.484848484848, 0.333333333333, 0.0606060606061], [-0.484848484848, 0.333333333333, 0.0606060606061], [-0.454545454545, 0.333333333333, 0.0606060606061], [-0.424242424242, 0.333333333333, 0.0606060606061], [-0.393939393939, 0.333333333333, 0.0606060606061], [-0.363636363636, 0.333333333333, 0.0606060606061], [-0.333333333333, 0.333333333333, 0.0606060606061], [-0.30303030303, 0.333333333333, 0.0606060606061], [-0.272727272727, 0.333333333333, 0.0606060606061], [0.424242424242, 0.363636363636, 0.0606060606061], [0.454545454545, 0.363636363636, 0.0606060606061], [0.484848484848, 0.363636363636, 0.0606060606061], [-0.484848484848, 0.363636363636, 0.0606060606061], [-0.454545454545, 0.363636363636, 0.0606060606061], [-0.424242424242, 0.363636363636, 0.0606060606061], [-0.393939393939, 0.363636363636, 0.0606060606061], [-0.363636363636, 0.363636363636, 0.0606060606061], [-0.333333333333, 0.363636363636, 0.0606060606061], [-0.30303030303, 0.363636363636, 0.0606060606061], [0.454545454545, 0.393939393939, 0.0606060606061], [0.484848484848, 0.393939393939, 0.0606060606061], [-0.484848484848, 0.393939393939, 0.0606060606061], [-0.454545454545, 0.393939393939, 0.0606060606061], [-0.424242424242, 0.393939393939, 0.0606060606061], [-0.393939393939, 0.393939393939, 0.0606060606061], [-0.363636363636, 0.393939393939, 0.0606060606061], [-0.333333333333, 0.393939393939, 0.0606060606061], [0.484848484848, 0.424242424242, 0.0606060606061], [-0.484848484848, 0.424242424242, 0.0606060606061], [-0.454545454545, 0.424242424242, 0.0606060606061], [-0.424242424242, 0.424242424242, 0.0606060606061], [-0.393939393939, 0.424242424242, 0.0606060606061], [-0.363636363636, 0.424242424242, 0.0606060606061], [-0.484848484848, 0.454545454545, 0.0606060606061], [-0.454545454545, 0.454545454545, 0.0606060606061], [-0.424242424242, 0.454545454545, 0.0606060606061], [-0.393939393939, 0.454545454545, 0.0606060606061], [-0.454545454545, 0.484848484848, 0.0606060606061], [-0.424242424242, 0.484848484848, 0.0606060606061], [0.272727272727, 0.181818181818, 0.0909090909091], [0.30303030303, 0.181818181818, 0.0909090909091], [0.333333333333, 0.181818181818, 0.0909090909091], [0.363636363636, 0.181818181818, 0.0909090909091], [0.393939393939, 0.181818181818, 0.0909090909091], [0.424242424242, 0.181818181818, 0.0909090909091], [0.454545454545, 0.181818181818, 0.0909090909091], [0.484848484848, 0.181818181818, 0.0909090909091], [-0.484848484848, 0.181818181818, 0.0909090909091], [-0.454545454545, 0.181818181818, 0.0909090909091], [-0.424242424242, 0.181818181818, 0.0909090909091], [0.30303030303, 0.212121212121, 0.0909090909091], [0.333333333333, 0.212121212121, 0.0909090909091], [0.363636363636, 0.212121212121, 0.0909090909091], [0.393939393939, 0.212121212121, 0.0909090909091], [0.424242424242, 0.212121212121, 0.0909090909091], [0.454545454545, 0.212121212121, 0.0909090909091], [0.484848484848, 0.212121212121, 0.0909090909091], [-0.484848484848, 0.212121212121, 0.0909090909091], [-0.454545454545, 0.212121212121, 0.0909090909091], [-0.424242424242, 0.212121212121, 0.0909090909091], [-0.393939393939, 0.212121212121, 0.0909090909091], [-0.363636363636, 0.212121212121, 0.0909090909091], [-0.333333333333, 0.212121212121, 0.0909090909091], [-0.30303030303, 0.212121212121, 0.0909090909091], [-0.272727272727, 0.212121212121, 0.0909090909091], [-0.242424242424, 0.212121212121, 0.0909090909091], [-0.212121212121, 0.212121212121, 0.0909090909091], [-0.181818181818, 0.212121212121, 0.0909090909091], [-0.151515151515, 0.212121212121, 0.0909090909091], [-0.121212121212, 0.212121212121, 0.0909090909091], [0.333333333333, 0.242424242424, 0.0909090909091], [0.363636363636, 0.242424242424, 0.0909090909091], [0.393939393939, 0.242424242424, 0.0909090909091], [0.424242424242, 0.242424242424, 0.0909090909091], [0.454545454545, 0.242424242424, 0.0909090909091], [0.484848484848, 0.242424242424, 0.0909090909091], [-0.484848484848, 0.242424242424, 0.0909090909091], [-0.454545454545, 0.242424242424, 0.0909090909091], [-0.424242424242, 0.242424242424, 0.0909090909091], [-0.393939393939, 0.242424242424, 0.0909090909091], [-0.363636363636, 0.242424242424, 0.0909090909091], [-0.333333333333, 0.242424242424, 0.0909090909091], [-0.30303030303, 0.242424242424, 0.0909090909091], [-0.272727272727, 0.242424242424, 0.0909090909091], [-0.242424242424, 0.242424242424, 0.0909090909091], [-0.212121212121, 0.242424242424, 0.0909090909091], [-0.181818181818, 0.242424242424, 0.0909090909091], [-0.151515151515, 0.242424242424, 0.0909090909091], [0.363636363636, 0.272727272727, 0.0909090909091], [0.393939393939, 0.272727272727, 0.0909090909091], [0.424242424242, 0.272727272727, 0.0909090909091], [0.454545454545, 0.272727272727, 0.0909090909091], [0.484848484848, 0.272727272727, 0.0909090909091], [-0.484848484848, 0.272727272727, 0.0909090909091], [-0.454545454545, 0.272727272727, 0.0909090909091], [-0.424242424242, 0.272727272727, 0.0909090909091], [-0.393939393939, 0.272727272727, 0.0909090909091], [-0.363636363636, 0.272727272727, 0.0909090909091], [-0.333333333333, 0.272727272727, 0.0909090909091], [-0.30303030303, 0.272727272727, 0.0909090909091], [-0.272727272727, 0.272727272727, 0.0909090909091], [-0.242424242424, 0.272727272727, 0.0909090909091], [-0.212121212121, 0.272727272727, 0.0909090909091], [-0.181818181818, 0.272727272727, 0.0909090909091], [0.393939393939, 0.30303030303, 0.0909090909091], [0.424242424242, 0.30303030303, 0.0909090909091], [0.454545454545, 0.30303030303, 0.0909090909091], [0.484848484848, 0.30303030303, 0.0909090909091], [-0.484848484848, 0.30303030303, 0.0909090909091], [-0.454545454545, 0.30303030303, 0.0909090909091], [-0.424242424242, 0.30303030303, 0.0909090909091], [-0.393939393939, 0.30303030303, 0.0909090909091], [-0.363636363636, 0.30303030303, 0.0909090909091], [-0.333333333333, 0.30303030303, 0.0909090909091], [-0.30303030303, 0.30303030303, 0.0909090909091], [-0.272727272727, 0.30303030303, 0.0909090909091], [-0.242424242424, 0.30303030303, 0.0909090909091], [-0.212121212121, 0.30303030303, 0.0909090909091], [0.424242424242, 0.333333333333, 0.0909090909091], [0.454545454545, 0.333333333333, 0.0909090909091], [0.484848484848, 0.333333333333, 0.0909090909091], [-0.484848484848, 0.333333333333, 0.0909090909091], [-0.454545454545, 0.333333333333, 0.0909090909091], [-0.424242424242, 0.333333333333, 0.0909090909091], [-0.393939393939, 0.333333333333, 0.0909090909091], [-0.363636363636, 0.333333333333, 0.0909090909091], [-0.333333333333, 0.333333333333, 0.0909090909091], [-0.30303030303, 0.333333333333, 0.0909090909091], [-0.272727272727, 0.333333333333, 0.0909090909091], [-0.242424242424, 0.333333333333, 0.0909090909091], [0.454545454545, 0.363636363636, 0.0909090909091], [0.484848484848, 0.363636363636, 0.0909090909091], [-0.484848484848, 0.363636363636, 0.0909090909091], [-0.454545454545, 0.363636363636, 0.0909090909091], [-0.424242424242, 0.363636363636, 0.0909090909091], [-0.393939393939, 0.363636363636, 0.0909090909091], [-0.363636363636, 0.363636363636, 0.0909090909091], [-0.333333333333, 0.363636363636, 0.0909090909091], [-0.30303030303, 0.363636363636, 0.0909090909091], [-0.272727272727, 0.363636363636, 0.0909090909091], [0.484848484848, 0.393939393939, 0.0909090909091], [-0.484848484848, 0.393939393939, 0.0909090909091], [-0.454545454545, 0.393939393939, 0.0909090909091], [-0.424242424242, 0.393939393939, 0.0909090909091], [-0.393939393939, 0.393939393939, 0.0909090909091], [-0.363636363636, 0.393939393939, 0.0909090909091], [-0.333333333333, 0.393939393939, 0.0909090909091], [-0.30303030303, 0.393939393939, 0.0909090909091], [-0.484848484848, 0.424242424242, 0.0909090909091], [-0.454545454545, 0.424242424242, 0.0909090909091], [-0.424242424242, 0.424242424242, 0.0909090909091], [-0.393939393939, 0.424242424242, 0.0909090909091], [-0.363636363636, 0.424242424242, 0.0909090909091], [-0.333333333333, 0.424242424242, 0.0909090909091], [-0.454545454545, 0.454545454545, 0.0909090909091], [-0.424242424242, 0.454545454545, 0.0909090909091], [-0.393939393939, 0.454545454545, 0.0909090909091], [-0.363636363636, 0.454545454545, 0.0909090909091], [-0.424242424242, 0.484848484848, 0.0909090909091], [-0.393939393939, 0.484848484848, 0.0909090909091], [0.363636363636, 0.242424242424, 0.121212121212], [0.393939393939, 0.242424242424, 0.121212121212], [0.424242424242, 0.242424242424, 0.121212121212], [0.454545454545, 0.242424242424, 0.121212121212], [0.484848484848, 0.242424242424, 0.121212121212], [-0.484848484848, 0.242424242424, 0.121212121212], [-0.454545454545, 0.242424242424, 0.121212121212], [-0.424242424242, 0.242424242424, 0.121212121212], [-0.393939393939, 0.242424242424, 0.121212121212], [0.393939393939, 0.272727272727, 0.121212121212], [0.424242424242, 0.272727272727, 0.121212121212], [0.454545454545, 0.272727272727, 0.121212121212], [0.484848484848, 0.272727272727, 0.121212121212], [-0.484848484848, 0.272727272727, 0.121212121212], [-0.454545454545, 0.272727272727, 0.121212121212], [-0.424242424242, 0.272727272727, 0.121212121212], [-0.393939393939, 0.272727272727, 0.121212121212], [-0.363636363636, 0.272727272727, 0.121212121212], [-0.333333333333, 0.272727272727, 0.121212121212], [-0.30303030303, 0.272727272727, 0.121212121212], [-0.272727272727, 0.272727272727, 0.121212121212], [-0.242424242424, 0.272727272727, 0.121212121212], [-0.212121212121, 0.272727272727, 0.121212121212], [-0.181818181818, 0.272727272727, 0.121212121212], [-0.151515151515, 0.272727272727, 0.121212121212], [0.424242424242, 0.30303030303, 0.121212121212], [0.454545454545, 0.30303030303, 0.121212121212], [0.484848484848, 0.30303030303, 0.121212121212], [-0.484848484848, 0.30303030303, 0.121212121212], [-0.454545454545, 0.30303030303, 0.121212121212], [-0.424242424242, 0.30303030303, 0.121212121212], [-0.393939393939, 0.30303030303, 0.121212121212], [-0.363636363636, 0.30303030303, 0.121212121212], [-0.333333333333, 0.30303030303, 0.121212121212], [-0.30303030303, 0.30303030303, 0.121212121212], [-0.272727272727, 0.30303030303, 0.121212121212], [-0.242424242424, 0.30303030303, 0.121212121212], [-0.212121212121, 0.30303030303, 0.121212121212], [-0.181818181818, 0.30303030303, 0.121212121212], [0.454545454545, 0.333333333333, 0.121212121212], [0.484848484848, 0.333333333333, 0.121212121212], [-0.484848484848, 0.333333333333, 0.121212121212], [-0.454545454545, 0.333333333333, 0.121212121212], [-0.424242424242, 0.333333333333, 0.121212121212], [-0.393939393939, 0.333333333333, 0.121212121212], [-0.363636363636, 0.333333333333, 0.121212121212], [-0.333333333333, 0.333333333333, 0.121212121212], [-0.30303030303, 0.333333333333, 0.121212121212], [-0.272727272727, 0.333333333333, 0.121212121212], [-0.242424242424, 0.333333333333, 0.121212121212], [-0.212121212121, 0.333333333333, 0.121212121212], [0.484848484848, 0.363636363636, 0.121212121212], [-0.484848484848, 0.363636363636, 0.121212121212], [-0.454545454545, 0.363636363636, 0.121212121212], [-0.424242424242, 0.363636363636, 0.121212121212], [-0.393939393939, 0.363636363636, 0.121212121212], [-0.363636363636, 0.363636363636, 0.121212121212], [-0.333333333333, 0.363636363636, 0.121212121212], [-0.30303030303, 0.363636363636, 0.121212121212], [-0.272727272727, 0.363636363636, 0.121212121212], [-0.242424242424, 0.363636363636, 0.121212121212], [-0.484848484848, 0.393939393939, 0.121212121212], [-0.454545454545, 0.393939393939, 0.121212121212], [-0.424242424242, 0.393939393939, 0.121212121212], [-0.393939393939, 0.393939393939, 0.121212121212], [-0.363636363636, 0.393939393939, 0.121212121212], [-0.333333333333, 0.393939393939, 0.121212121212], [-0.30303030303, 0.393939393939, 0.121212121212], [-0.272727272727, 0.393939393939, 0.121212121212], [-0.454545454545, 0.424242424242, 0.121212121212], [-0.424242424242, 0.424242424242, 0.121212121212], [-0.393939393939, 0.424242424242, 0.121212121212], [-0.363636363636, 0.424242424242, 0.121212121212], [-0.333333333333, 0.424242424242, 0.121212121212], [-0.30303030303, 0.424242424242, 0.121212121212], [-0.424242424242, 0.454545454545, 0.121212121212], [-0.393939393939, 0.454545454545, 0.121212121212], [-0.363636363636, 0.454545454545, 0.121212121212], [-0.333333333333, 0.454545454545, 0.121212121212], [-0.393939393939, 0.484848484848, 0.121212121212], [-0.363636363636, 0.484848484848, 0.121212121212], [0.454545454545, 0.30303030303, 0.151515151515], [0.484848484848, 0.30303030303, 0.151515151515], [-0.484848484848, 0.30303030303, 0.151515151515], [-0.454545454545, 0.30303030303, 0.151515151515], [-0.424242424242, 0.30303030303, 0.151515151515], [-0.393939393939, 0.30303030303, 0.151515151515], [-0.363636363636, 0.30303030303, 0.151515151515], [0.484848484848, 0.333333333333, 0.151515151515], [-0.484848484848, 0.333333333333, 0.151515151515], [-0.454545454545, 0.333333333333, 0.151515151515], [-0.424242424242, 0.333333333333, 0.151515151515], [-0.393939393939, 0.333333333333, 0.151515151515], [-0.363636363636, 0.333333333333, 0.151515151515], [-0.333333333333, 0.333333333333, 0.151515151515], [-0.30303030303, 0.333333333333, 0.151515151515], [-0.272727272727, 0.333333333333, 0.151515151515], [-0.242424242424, 0.333333333333, 0.151515151515], [-0.212121212121, 0.333333333333, 0.151515151515], [-0.181818181818, 0.333333333333, 0.151515151515], [-0.484848484848, 0.363636363636, 0.151515151515], [-0.454545454545, 0.363636363636, 0.151515151515], [-0.424242424242, 0.363636363636, 0.151515151515], [-0.393939393939, 0.363636363636, 0.151515151515], [-0.363636363636, 0.363636363636, 0.151515151515], [-0.333333333333, 0.363636363636, 0.151515151515], [-0.30303030303, 0.363636363636, 0.151515151515], [-0.272727272727, 0.363636363636, 0.151515151515], [-0.242424242424, 0.363636363636, 0.151515151515], [-0.212121212121, 0.363636363636, 0.151515151515], [-0.454545454545, 0.393939393939, 0.151515151515], [-0.424242424242, 0.393939393939, 0.151515151515], [-0.393939393939, 0.393939393939, 0.151515151515], [-0.363636363636, 0.393939393939, 0.151515151515], [-0.333333333333, 0.393939393939, 0.151515151515], [-0.30303030303, 0.393939393939, 0.151515151515], [-0.272727272727, 0.393939393939, 0.151515151515], [-0.242424242424, 0.393939393939, 0.151515151515], [-0.424242424242, 0.424242424242, 0.151515151515], [-0.393939393939, 0.424242424242, 0.151515151515], [-0.363636363636, 0.424242424242, 0.151515151515], [-0.333333333333, 0.424242424242, 0.151515151515], [-0.30303030303, 0.424242424242, 0.151515151515], [-0.272727272727, 0.424242424242, 0.151515151515], [-0.393939393939, 0.454545454545, 0.151515151515], [-0.363636363636, 0.454545454545, 0.151515151515], [-0.333333333333, 0.454545454545, 0.151515151515], [-0.30303030303, 0.454545454545, 0.151515151515], [-0.363636363636, 0.484848484848, 0.151515151515], [-0.333333333333, 0.484848484848, 0.151515151515], [-0.454545454545, 0.363636363636, 0.181818181818], [-0.424242424242, 0.363636363636, 0.181818181818], [-0.393939393939, 0.363636363636, 0.181818181818], [-0.363636363636, 0.363636363636, 0.181818181818], [-0.333333333333, 0.363636363636, 0.181818181818], [-0.424242424242, 0.393939393939, 0.181818181818], [-0.393939393939, 0.393939393939, 0.181818181818], [-0.363636363636, 0.393939393939, 0.181818181818], [-0.333333333333, 0.393939393939, 0.181818181818], [-0.30303030303, 0.393939393939, 0.181818181818], [-0.272727272727, 0.393939393939, 0.181818181818], [-0.242424242424, 0.393939393939, 0.181818181818], [-0.212121212121, 0.393939393939, 0.181818181818], [-0.393939393939, 0.424242424242, 0.181818181818], [-0.363636363636, 0.424242424242, 0.181818181818], [-0.333333333333, 0.424242424242, 0.181818181818], [-0.30303030303, 0.424242424242, 0.181818181818], [-0.272727272727, 0.424242424242, 0.181818181818], [-0.242424242424, 0.424242424242, 0.181818181818], [-0.363636363636, 0.454545454545, 0.181818181818], [-0.333333333333, 0.454545454545, 0.181818181818], [-0.30303030303, 0.454545454545, 0.181818181818], [-0.272727272727, 0.454545454545, 0.181818181818], [-0.333333333333, 0.484848484848, 0.181818181818], [-0.30303030303, 0.484848484848, 0.181818181818], [-0.363636363636, 0.424242424242, 0.212121212121], [-0.333333333333, 0.424242424242, 0.212121212121], [-0.30303030303, 0.424242424242, 0.212121212121], [-0.333333333333, 0.454545454545, 0.212121212121], [-0.30303030303, 0.454545454545, 0.212121212121], [-0.272727272727, 0.454545454545, 0.212121212121], [-0.242424242424, 0.454545454545, 0.212121212121], [-0.30303030303, 0.484848484848, 0.212121212121], [-0.272727272727, 0.484848484848, 0.212121212121], [-0.272727272727, 0.484848484848, 0.242424242424]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 12.0, 6.0, 12.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"incar": {"ISIF": 3, "IBRION": 2, "NSW": 200, "NELM": 100, "ISPIN": 2, "ALGO": "Fast", "SYSTEM": "Rubyvaspy :: fe", "ENCUT": 520, "LREAL": "Auto", "EDIFF": 2e-06, "PREC": "Accurate", "NELMIN": 3, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": true, "ICHARG": 1, "NPAR": 1, "MAGMOM": [5.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.2412218774, 0.0, 1.2939700542], [0.7470739591, 2.1130442502, 1.2939700542], [0.0, 0.0, 2.5879401085]], "a": 2.587940108445853, "b": 2.587940108432763, "c": 2.5879401085, "alpha": 60.00000000041879, "beta": 60.000000000586105, "gamma": 60.0000000009614, "volume": 12.255969357559323}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Poscar v1.1 :: 1 :: Fe"}}}, "magnetism": {"total_magnetization": 2.5663049}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.591}}]}, "nsites": 1, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 12.113866783998253, "density": 7.65509513537782, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d8c"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:51:42.702000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2013-05-22 16:37:43"}, "task_ids": ["mp-869237", "mp-600086", "mp-869239", "mp-869238", "mp-568345", "mp-1382255"], "deprecated_tasks": [], "task_id": "mp-568345", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-869238", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-11-05 11:01:19"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-869238", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-11-05 11:01:19"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1382255", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:51:42.702000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1382255", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:51:42.702000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1382255", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:51:42.702000"}}], "task_types": {"mp-600086": "GGA Structure Optimization", "mp-869237": "GGA Static", "mp-869238": "GGA NSCF Uniform", "mp-869239": "GGA NSCF Line", "mp-568345": "GGA Structure Optimization", "mp-1382255": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-869239", "cbm": null, "dos_task": "mp-869238", "efermi": -2.80357425, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-869238", "vbm": null}, "energy": -7.70860905, "energy_per_atom": -7.70860905, "entries": {"gga": {"composition": {"Fe": 1.0}, "energy": -7.70860905, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1382255"}, "entry_id": "mp-568345"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[5.402028, 0.0, -1.232298], [-0.281109, 5.394709, -1.232298], [0.0, 0.0, 12.456591]], "a": 5.540800021078906, "b": 5.540800106967043, "c": 12.456591, "alpha": 102.85029090851864, "beta": 102.85029111111994, "gamma": 90.00000061260391, "volume": 363.0145722741967}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.42004, 0.92004, 0.84008], "xyz": [2.01043631676, 4.963348068359999, 8.81315506344], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.57996, 0.07996, 0.15992], "xyz": [3.11048268324, 0.43136093164, 1.17883993656], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.07996, 0.57996, 0.15992], "xyz": [0.26891418323999994, 3.12871543164, 1.17883993656], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.25, 0.5], "xyz": [3.981243749999999, 1.34867725, 4.9959975], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.92004, 0.42004, 0.84008], "xyz": [4.85200481676, 2.26599356836, 8.81315506344], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.75, 0.5], "xyz": [1.1396752499999998, 4.04603175, 4.9959975], "label": "Fe", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": false, "LWAVE": false, "NBANDS": 22, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 154, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0, 0.025, 0.0], [0.0, 0.05, 0.0], [0.0, 0.075, 0.0], [0.0, 0.1, 0.0], [0.0, 0.125, 0.0], [0.0, 0.15, 0.0], [0.0, 0.175, 0.0], [0.0, 0.2, 0.0], [0.0, 0.225, 0.0], [0.0, 0.25, 0.0], [0.0, 0.275, 0.0], [0.0, 0.3, 0.0], [0.0, 0.325, 0.0], [0.0, 0.35, 0.0], [0.0, 0.375, 0.0], [0.0, 0.4, 0.0], [0.0, 0.425, 0.0], [0.0, 0.45, 0.0], [0.0, 0.475, 0.0], [0.0, 0.5, 0.0], [0.0, 0.5, 0.0], [0.025, 0.5, 0.0], [0.05, 0.5, 0.0], [0.075, 0.5, 0.0], [0.1, 0.5, 0.0], [0.125, 0.5, 0.0], [0.15, 0.5, 0.0], [0.175, 0.5, 0.0], [0.2, 0.5, 0.0], [0.225, 0.5, 0.0], [0.25, 0.5, 0.0], [0.275, 0.5, 0.0], [0.3, 0.5, 0.0], [0.325, 0.5, 0.0], [0.35, 0.5, 0.0], [0.375, 0.5, 0.0], [0.4, 0.5, 0.0], [0.425, 0.5, 0.0], [0.45, 0.5, 0.0], [0.475, 0.5, 0.0], [0.5, 0.5, 0.0], [0.5, 0.5, 0.0], [0.481481481481, 0.481481481481, 0.0], [0.462962962963, 0.462962962963, 0.0], [0.444444444444, 0.444444444444, 0.0], [0.425925925926, 0.425925925926, 0.0], [0.407407407407, 0.407407407407, 0.0], [0.388888888889, 0.388888888889, 0.0], [0.37037037037, 0.37037037037, 0.0], [0.351851851852, 0.351851851852, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.314814814815, 0.314814814815, 0.0], [0.296296296296, 0.296296296296, 0.0], [0.277777777778, 0.277777777778, 0.0], [0.259259259259, 0.259259259259, 0.0], [0.240740740741, 0.240740740741, 0.0], [0.222222222222, 0.222222222222, 0.0], [0.203703703704, 0.203703703704, 0.0], [0.185185185185, 0.185185185185, 0.0], [0.166666666667, 0.166666666667, 0.0], [0.148148148148, 0.148148148148, 0.0], [0.12962962963, 0.12962962963, 0.0], [0.111111111111, 0.111111111111, 0.0], [0.0925925925926, 0.0925925925926, 0.0], [0.0740740740741, 0.0740740740741, 0.0], [0.0555555555556, 0.0555555555556, 0.0], [0.037037037037, 0.037037037037, 0.0], [0.0185185185185, 0.0185185185185, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0147058823529, 0.0147058823529, 0.0147058823529], [0.0294117647059, 0.0294117647059, 0.0294117647059], [0.0441176470588, 0.0441176470588, 0.0441176470588], [0.0588235294118, 0.0588235294118, 0.0588235294118], [0.0735294117647, 0.0735294117647, 0.0735294117647], [0.0882352941176, 0.0882352941176, 0.0882352941176], [0.102941176471, 0.102941176471, 0.102941176471], [0.117647058824, 0.117647058824, 0.117647058824], [0.132352941176, 0.132352941176, 0.132352941176], [0.147058823529, 0.147058823529, 0.147058823529], [0.161764705882, 0.161764705882, 0.161764705882], [0.176470588235, 0.176470588235, 0.176470588235], [0.191176470588, 0.191176470588, 0.191176470588], [0.205882352941, 0.205882352941, 0.205882352941], [0.220588235294, 0.220588235294, 0.220588235294], [0.235294117647, 0.235294117647, 0.235294117647], [0.25, 0.25, 0.25], [0.264705882353, 0.264705882353, 0.264705882353], [0.279411764706, 0.279411764706, 0.279411764706], [0.294117647059, 0.294117647059, 0.294117647059], [0.308823529412, 0.308823529412, 0.308823529412], [0.323529411765, 0.323529411765, 0.323529411765], [0.338235294118, 0.338235294118, 0.338235294118], [0.352941176471, 0.352941176471, 0.352941176471], [0.367647058824, 0.367647058824, 0.367647058824], [0.382352941176, 0.382352941176, 0.382352941176], [0.397058823529, 0.397058823529, 0.397058823529], [0.411764705882, 0.411764705882, 0.411764705882], [0.426470588235, 0.426470588235, 0.426470588235], [0.441176470588, 0.441176470588, 0.441176470588], [0.455882352941, 0.455882352941, 0.455882352941], [0.470588235294, 0.470588235294, 0.470588235294], [0.485294117647, 0.485294117647, 0.485294117647], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.481481481481, 0.5, 0.481481481481], [0.462962962963, 0.5, 0.462962962963], [0.444444444444, 0.5, 0.444444444444], [0.425925925926, 0.5, 0.425925925926], [0.407407407407, 0.5, 0.407407407407], [0.388888888889, 0.5, 0.388888888889], [0.37037037037, 0.5, 0.37037037037], [0.351851851852, 0.5, 0.351851851852], [0.333333333333, 0.5, 0.333333333333], [0.314814814815, 0.5, 0.314814814815], [0.296296296296, 0.5, 0.296296296296], [0.277777777778, 0.5, 0.277777777778], [0.259259259259, 0.5, 0.259259259259], [0.240740740741, 0.5, 0.240740740741], [0.222222222222, 0.5, 0.222222222222], [0.203703703704, 0.5, 0.203703703704], [0.185185185185, 0.5, 0.185185185185], [0.166666666667, 0.5, 0.166666666667], [0.148148148148, 0.5, 0.148148148148], [0.12962962963, 0.5, 0.12962962963], [0.111111111111, 0.5, 0.111111111111], [0.0925925925926, 0.5, 0.0925925925926], [0.0740740740741, 0.5, 0.0740740740741], [0.0555555555556, 0.5, 0.0555555555556], [0.037037037037, 0.5, 0.037037037037], [0.0185185185185, 0.5, 0.0185185185185], [0.0, 0.5, 0.0], [0.5, 0.5, 0.0], [0.5, 0.5, 0.025], [0.5, 0.5, 0.05], [0.5, 0.5, 0.075], [0.5, 0.5, 0.1], [0.5, 0.5, 0.125], [0.5, 0.5, 0.15], [0.5, 0.5, 0.175], [0.5, 0.5, 0.2], [0.5, 0.5, 0.225], [0.5, 0.5, 0.25], [0.5, 0.5, 0.275], [0.5, 0.5, 0.3], [0.5, 0.5, 0.325], [0.5, 0.5, 0.35], [0.5, 0.5, 0.375], [0.5, 0.5, 0.4], [0.5, 0.5, 0.425], [0.5, 0.5, 0.45], [0.5, 0.5, 0.475], [0.5, 0.5, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "X", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "R", "R", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "R"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": false, "LWAVE": false, "NBANDS": 17, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 120, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0666666666667, 0.0, 0.0], [0.133333333333, 0.0, 0.0], [0.2, 0.0, 0.0], [0.266666666667, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.4, 0.0, 0.0], [0.466666666667, 0.0, 0.0], [0.0666666666667, 0.0666666666667, 0.0], [0.133333333333, 0.0666666666667, 0.0], [0.2, 0.0666666666667, 0.0], [0.266666666667, 0.0666666666667, 0.0], [0.333333333333, 0.0666666666667, 0.0], [0.4, 0.0666666666667, 0.0], [0.466666666667, 0.0666666666667, 0.0], [0.133333333333, 0.133333333333, 0.0], [0.2, 0.133333333333, 0.0], [0.266666666667, 0.133333333333, 0.0], [0.333333333333, 0.133333333333, 0.0], [0.4, 0.133333333333, 0.0], [0.466666666667, 0.133333333333, 0.0], [0.2, 0.2, 0.0], [0.266666666667, 0.2, 0.0], [0.333333333333, 0.2, 0.0], [0.4, 0.2, 0.0], [0.466666666667, 0.2, 0.0], [0.266666666667, 0.266666666667, 0.0], [0.333333333333, 0.266666666667, 0.0], [0.4, 0.266666666667, 0.0], [0.466666666667, 0.266666666667, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.4, 0.333333333333, 0.0], [0.466666666667, 0.333333333333, 0.0], [0.4, 0.4, 0.0], [0.466666666667, 0.4, 0.0], [0.466666666667, 0.466666666667, 0.0], [0.0666666666667, 0.0666666666667, 0.0666666666667], [0.133333333333, 0.0666666666667, 0.0666666666667], [0.2, 0.0666666666667, 0.0666666666667], [0.266666666667, 0.0666666666667, 0.0666666666667], [0.333333333333, 0.0666666666667, 0.0666666666667], [0.4, 0.0666666666667, 0.0666666666667], [0.466666666667, 0.0666666666667, 0.0666666666667], [0.133333333333, 0.133333333333, 0.0666666666667], [0.2, 0.133333333333, 0.0666666666667], [0.266666666667, 0.133333333333, 0.0666666666667], [0.333333333333, 0.133333333333, 0.0666666666667], [0.4, 0.133333333333, 0.0666666666667], [0.466666666667, 0.133333333333, 0.0666666666667], [0.2, 0.2, 0.0666666666667], [0.266666666667, 0.2, 0.0666666666667], [0.333333333333, 0.2, 0.0666666666667], [0.4, 0.2, 0.0666666666667], [0.466666666667, 0.2, 0.0666666666667], [0.266666666667, 0.266666666667, 0.0666666666667], [0.333333333333, 0.266666666667, 0.0666666666667], [0.4, 0.266666666667, 0.0666666666667], [0.466666666667, 0.266666666667, 0.0666666666667], [0.333333333333, 0.333333333333, 0.0666666666667], [0.4, 0.333333333333, 0.0666666666667], [0.466666666667, 0.333333333333, 0.0666666666667], [0.4, 0.4, 0.0666666666667], [0.466666666667, 0.4, 0.0666666666667], [0.466666666667, 0.466666666667, 0.0666666666667], [0.133333333333, 0.133333333333, 0.133333333333], [0.2, 0.133333333333, 0.133333333333], [0.266666666667, 0.133333333333, 0.133333333333], [0.333333333333, 0.133333333333, 0.133333333333], [0.4, 0.133333333333, 0.133333333333], [0.466666666667, 0.133333333333, 0.133333333333], [0.2, 0.2, 0.133333333333], [0.266666666667, 0.2, 0.133333333333], [0.333333333333, 0.2, 0.133333333333], [0.4, 0.2, 0.133333333333], [0.466666666667, 0.2, 0.133333333333], [0.266666666667, 0.266666666667, 0.133333333333], [0.333333333333, 0.266666666667, 0.133333333333], [0.4, 0.266666666667, 0.133333333333], [0.466666666667, 0.266666666667, 0.133333333333], [0.333333333333, 0.333333333333, 0.133333333333], [0.4, 0.333333333333, 0.133333333333], [0.466666666667, 0.333333333333, 0.133333333333], [0.4, 0.4, 0.133333333333], [0.466666666667, 0.4, 0.133333333333], [0.466666666667, 0.466666666667, 0.133333333333], [0.2, 0.2, 0.2], [0.266666666667, 0.2, 0.2], [0.333333333333, 0.2, 0.2], [0.4, 0.2, 0.2], [0.466666666667, 0.2, 0.2], [0.266666666667, 0.266666666667, 0.2], [0.333333333333, 0.266666666667, 0.2], [0.4, 0.266666666667, 0.2], [0.466666666667, 0.266666666667, 0.2], [0.333333333333, 0.333333333333, 0.2], [0.4, 0.333333333333, 0.2], [0.466666666667, 0.333333333333, 0.2], [0.4, 0.4, 0.2], [0.466666666667, 0.4, 0.2], [0.466666666667, 0.466666666667, 0.2], [0.266666666667, 0.266666666667, 0.266666666667], [0.333333333333, 0.266666666667, 0.266666666667], [0.4, 0.266666666667, 0.266666666667], [0.466666666667, 0.266666666667, 0.266666666667], [0.333333333333, 0.333333333333, 0.266666666667], [0.4, 0.333333333333, 0.266666666667], [0.466666666667, 0.333333333333, 0.266666666667], [0.4, 0.4, 0.266666666667], [0.466666666667, 0.4, 0.266666666667], [0.466666666667, 0.466666666667, 0.266666666667], [0.333333333333, 0.333333333333, 0.333333333333], [0.4, 0.333333333333, 0.333333333333], [0.466666666667, 0.333333333333, 0.333333333333], [0.4, 0.4, 0.333333333333], [0.466666666667, 0.4, 0.333333333333], [0.466666666667, 0.466666666667, 0.333333333333], [0.4, 0.4, 0.4], [0.466666666667, 0.4, 0.4], [0.466666666667, 0.466666666667, 0.4], [0.466666666667, 0.466666666667, 0.466666666667]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 24.0, 12.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 8.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[5.402028, 0.0, -1.232298], [-0.281109, 5.394709, -1.232298], [0.0, 0.0, 12.456591]], "a": 5.540800021078906, "b": 5.540800106967043, "c": 12.456591, "alpha": 102.85029090851864, "beta": 102.85029111111994, "gamma": 90.00000061260391, "volume": 363.0145722741967}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.42004, 0.92004, 0.84008], "xyz": [2.01043631676, 4.963348068359999, 8.81315506344], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.57996, 0.07996, 0.15992], "xyz": [3.11048268324, 0.43136093164, 1.17883993656], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.07996, 0.57996, 0.15992], "xyz": [0.26891418323999994, 3.12871543164, 1.17883993656], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.25, 0.5], "xyz": [3.981243749999999, 1.34867725, 4.9959975], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.92004, 0.42004, 0.84008], "xyz": [4.85200481676, 2.26599356836, 8.81315506344], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.75, 0.5], "xyz": [1.1396752499999998, 4.04603175, 4.9959975], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe6"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0003, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LDAU": false, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [5, 5, 5, 5, 5, 5], "NELM": 100, "NPAR": 1, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[8, 8, 4]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": -2.4121917}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {"magmom": -2.41}}]}, "nsites": 1, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 13.407706710345558, "density": 6.916380607971248, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Pm-3m", "number": 221, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-P 4 2 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555de"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 10:30:18.729000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-12 17:06:36"}, "task_ids": ["mp-1184952", "mp-990861", "mp-1442053", "mp-992149", "mp-51", "mp-993783"], "deprecated_tasks": [], "task_id": "mp-51", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-992149", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-03-08 16:36:11"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-992149", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-03-08 16:36:11"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1442053", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 10:30:18.729000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1442053", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 10:30:18.729000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1442053", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 10:30:18.729000"}}], "task_types": {"mp-51": "GGA Structure Optimization", "mp-993783": "GGA NSCF Line", "mp-992149": "GGA NSCF Uniform", "mp-990861": "GGA Static", "mp-1184952": "GGA Structure Optimization", "mp-1442053": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-993783", "cbm": null, "dos_task": "mp-992149", "efermi": -0.23557455, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-992149", "vbm": null}, "energy": -1.90603016, "energy_per_atom": -1.90603016, "entries": {"gga": {"composition": {"Li": 1.0}, "energy": -1.90603016, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1442053"}, "entry_id": "mp-51"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.549109, -0.894379, -2.212377], [0.0, -1.788757, 2.212377], [-1.54911, 0.894379, 2.212377]], "a": 2.8450420875008158, "b": 2.8450419320597016, "c": 2.845042631995169, "alpha": 65.98023310384575, "beta": 114.0197674350707, "gamma": 114.01977178283055, "volume": 18.391363751228624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 10, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 294, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0113636363636, 0.0, 0.0113636363636], [0.0227272727273, 0.0, 0.0227272727273], [0.0340909090909, 3.85185988877e-34, 0.0340909090909], [0.0454545454545, 0.0, 0.0454545454545], [0.0568181818182, 0.0, 0.0568181818182], [0.0681818181818, 7.70371977755e-34, 0.0681818181818], [0.0795454545455, 0.0, 0.0795454545455], [0.0909090909091, 0.0, 0.0909090909091], [0.102272727273, 3.08148791102e-33, 0.102272727273], [0.113636363636, 0.0, 0.113636363636], [0.125, 0.0, 0.125], [0.136363636364, 1.54074395551e-33, 0.136363636364], [0.147727272727, -6.16297582204e-33, 0.147727272727], [0.159090909091, 0.0, 0.159090909091], [0.170454545455, -4.62223186653e-33, 0.170454545455], [0.181818181818, 0.0, 0.181818181818], [0.193181818182, -6.16297582204e-33, 0.193181818182], [0.204545454545, 6.16297582204e-33, 0.204545454545], [0.215909090909, 0.0, 0.215909090909], [0.227272727273, 0.0, 0.227272727273], [0.238636363636, 0.0, 0.238636363636], [0.25, 0.0, 0.25], [0.261363636364, -6.16297582204e-33, 0.261363636364], [0.272727272727, 3.08148791102e-33, 0.272727272727], [0.284090909091, 9.24446373306e-33, 0.284090909091], [0.295454545455, -1.23259516441e-32, 0.295454545455], [0.306818181818, 0.0, 0.306818181818], [0.318181818182, 0.0, 0.318181818182], [0.329545454545, 1.23259516441e-32, 0.329545454545], [0.340909090909, -9.24446373306e-33, 0.340909090909], [0.352272727273, 9.24446373306e-33, 0.352272727273], [0.363636363636, 0.0, 0.363636363636], [0.375, 0.0, 0.375], [0.386363636364, -1.23259516441e-32, 0.386363636364], [0.397727272727, 0.0, 0.397727272727], [0.409090909091, 1.23259516441e-32, 0.409090909091], [0.420454545455, 0.0, 0.420454545455], [0.431818181818, 0.0, 0.431818181818], [0.443181818182, -1.23259516441e-32, 0.443181818182], [0.454545454545, 0.0, 0.454545454545], [0.465909090909, 0.0, 0.465909090909], [0.477272727273, 0.0, 0.477272727273], [0.488636363636, 2.46519032882e-32, 0.488636363636], [0.5, 0.0, 0.5], [0.5, 0.0, 0.5], [0.5, 0.0113636363636, 0.511363636364], [0.5, 0.0227272727273, 0.522727272727], [0.5, 0.0340909090909, 0.534090909091], [0.5, 0.0454545454545, 0.545454545455], [0.5, 0.0568181818182, 0.556818181818], [0.5, 0.0681818181818, 0.568181818182], [0.5, 0.0795454545455, 0.579545454545], [0.5, 0.0909090909091, 0.590909090909], [0.5, 0.102272727273, 0.602272727273], [0.5, 0.113636363636, 0.613636363636], [0.5, 0.125, 0.625], [0.5, 0.136363636364, 0.636363636364], [0.5, 0.147727272727, 0.647727272727], [0.5, 0.159090909091, 0.659090909091], [0.5, 0.170454545455, 0.670454545455], [0.5, 0.181818181818, 0.681818181818], [0.5, 0.193181818182, 0.693181818182], [0.5, 0.204545454545, 0.704545454545], [0.5, 0.215909090909, 0.715909090909], [0.5, 0.227272727273, 0.727272727273], [0.5, 0.238636363636, 0.738636363636], [0.5, 0.25, 0.75], [0.5, 0.25, 0.75], [0.4921875, 0.2578125, 0.75], [0.484375, 0.265625, 0.75], [0.4765625, 0.2734375, 0.75], [0.46875, 0.28125, 0.75], [0.4609375, 0.2890625, 0.75], [0.453125, 0.296875, 0.75], [0.4453125, 0.3046875, 0.75], [0.4375, 0.3125, 0.75], [0.4296875, 0.3203125, 0.75], [0.421875, 0.328125, 0.75], [0.4140625, 0.3359375, 0.75], [0.40625, 0.34375, 0.75], [0.3984375, 0.3515625, 0.75], [0.390625, 0.359375, 0.75], [0.3828125, 0.3671875, 0.75], [0.375, 0.375, 0.75], [0.375, 0.375, 0.75], [0.367021276596, 0.367021276596, 0.734042553191], [0.359042553191, 0.359042553191, 0.718085106383], [0.351063829787, 0.351063829787, 0.702127659574], [0.343085106383, 0.343085106383, 0.686170212766], [0.335106382979, 0.335106382979, 0.670212765957], [0.327127659574, 0.327127659574, 0.654255319149], [0.31914893617, 0.31914893617, 0.63829787234], [0.311170212766, 0.311170212766, 0.622340425532], [0.303191489362, 0.303191489362, 0.606382978723], [0.295212765957, 0.295212765957, 0.590425531915], [0.287234042553, 0.287234042553, 0.574468085106], [0.279255319149, 0.279255319149, 0.558510638298], [0.271276595745, 0.271276595745, 0.542553191489], [0.26329787234, 0.26329787234, 0.526595744681], [0.255319148936, 0.255319148936, 0.510638297872], [0.247340425532, 0.247340425532, 0.494680851064], [0.239361702128, 0.239361702128, 0.478723404255], [0.231382978723, 0.231382978723, 0.462765957447], [0.223404255319, 0.223404255319, 0.446808510638], [0.215425531915, 0.215425531915, 0.43085106383], [0.207446808511, 0.207446808511, 0.414893617021], [0.199468085106, 0.199468085106, 0.398936170213], [0.191489361702, 0.191489361702, 0.382978723404], [0.183510638298, 0.183510638298, 0.367021276596], [0.175531914894, 0.175531914894, 0.351063829787], [0.167553191489, 0.167553191489, 0.335106382979], [0.159574468085, 0.159574468085, 0.31914893617], [0.151595744681, 0.151595744681, 0.303191489362], [0.143617021277, 0.143617021277, 0.287234042553], [0.135638297872, 0.135638297872, 0.271276595745], [0.127659574468, 0.127659574468, 0.255319148936], [0.119680851064, 0.119680851064, 0.239361702128], [0.11170212766, 0.11170212766, 0.223404255319], [0.103723404255, 0.103723404255, 0.207446808511], [0.0957446808511, 0.0957446808511, 0.191489361702], [0.0877659574468, 0.0877659574468, 0.175531914894], [0.0797872340426, 0.0797872340426, 0.159574468085], [0.0718085106383, 0.0718085106383, 0.143617021277], [0.063829787234, 0.063829787234, 0.127659574468], [0.0558510638298, 0.0558510638298, 0.11170212766], [0.0478723404255, 0.0478723404255, 0.0957446808511], [0.0398936170213, 0.0398936170213, 0.0797872340426], [0.031914893617, 0.031914893617, 0.063829787234], [0.0239361702128, 0.0239361702128, 0.0478723404255], [0.0159574468085, 0.0159574468085, 0.031914893617], [0.00797872340426, 0.00797872340426, 0.0159574468085], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0131578947368, 0.0131578947368, 0.0131578947368], [0.0263157894737, 0.0263157894737, 0.0263157894737], [0.0394736842105, 0.0394736842105, 0.0394736842105], [0.0526315789474, 0.0526315789474, 0.0526315789474], [0.0657894736842, 0.0657894736842, 0.0657894736842], [0.0789473684211, 0.0789473684211, 0.0789473684211], [0.0921052631579, 0.0921052631579, 0.0921052631579], [0.105263157895, 0.105263157895, 0.105263157895], [0.118421052632, 0.118421052632, 0.118421052632], [0.131578947368, 0.131578947368, 0.131578947368], [0.144736842105, 0.144736842105, 0.144736842105], [0.157894736842, 0.157894736842, 0.157894736842], [0.171052631579, 0.171052631579, 0.171052631579], [0.184210526316, 0.184210526316, 0.184210526316], [0.197368421053, 0.197368421053, 0.197368421053], [0.210526315789, 0.210526315789, 0.210526315789], [0.223684210526, 0.223684210526, 0.223684210526], [0.236842105263, 0.236842105263, 0.236842105263], [0.25, 0.25, 0.25], [0.263157894737, 0.263157894737, 0.263157894737], [0.276315789474, 0.276315789474, 0.276315789474], [0.289473684211, 0.289473684211, 0.289473684211], [0.302631578947, 0.302631578947, 0.302631578947], [0.315789473684, 0.315789473684, 0.315789473684], [0.328947368421, 0.328947368421, 0.328947368421], [0.342105263158, 0.342105263158, 0.342105263158], [0.355263157895, 0.355263157895, 0.355263157895], [0.368421052632, 0.368421052632, 0.368421052632], [0.381578947368, 0.381578947368, 0.381578947368], [0.394736842105, 0.394736842105, 0.394736842105], [0.407894736842, 0.407894736842, 0.407894736842], [0.421052631579, 0.421052631579, 0.421052631579], [0.434210526316, 0.434210526316, 0.434210526316], [0.447368421053, 0.447368421053, 0.447368421053], [0.460526315789, 0.460526315789, 0.460526315789], [0.473684210526, 0.473684210526, 0.473684210526], [0.486842105263, 0.486842105263, 0.486842105263], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.50462962963, 0.490740740741, 0.50462962963], [0.509259259259, 0.481481481481, 0.509259259259], [0.513888888889, 0.472222222222, 0.513888888889], [0.518518518519, 0.462962962963, 0.518518518519], [0.523148148148, 0.453703703704, 0.523148148148], [0.527777777778, 0.444444444444, 0.527777777778], [0.532407407407, 0.435185185185, 0.532407407407], [0.537037037037, 0.425925925926, 0.537037037037], [0.541666666667, 0.416666666667, 0.541666666667], [0.546296296296, 0.407407407407, 0.546296296296], [0.550925925926, 0.398148148148, 0.550925925926], [0.555555555556, 0.388888888889, 0.555555555556], [0.560185185185, 0.37962962963, 0.560185185185], [0.564814814815, 0.37037037037, 0.564814814815], [0.569444444444, 0.361111111111, 0.569444444444], [0.574074074074, 0.351851851852, 0.574074074074], [0.578703703704, 0.342592592593, 0.578703703704], [0.583333333333, 0.333333333333, 0.583333333333], [0.587962962963, 0.324074074074, 0.587962962963], [0.592592592593, 0.314814814815, 0.592592592593], [0.597222222222, 0.305555555556, 0.597222222222], [0.601851851852, 0.296296296296, 0.601851851852], [0.606481481481, 0.287037037037, 0.606481481481], [0.611111111111, 0.277777777778, 0.611111111111], [0.615740740741, 0.268518518519, 0.615740740741], [0.62037037037, 0.259259259259, 0.62037037037], [0.625, 0.25, 0.625], [0.625, 0.25, 0.625], [0.6171875, 0.25, 0.6328125], [0.609375, 0.25, 0.640625], [0.6015625, 0.25, 0.6484375], [0.59375, 0.25, 0.65625], [0.5859375, 0.25, 0.6640625], [0.578125, 0.25, 0.671875], [0.5703125, 0.25, 0.6796875], [0.5625, 0.25, 0.6875], [0.5546875, 0.25, 0.6953125], [0.546875, 0.25, 0.703125], [0.5390625, 0.25, 0.7109375], [0.53125, 0.25, 0.71875], [0.5234375, 0.25, 0.7265625], [0.515625, 0.25, 0.734375], [0.5078125, 0.25, 0.7421875], [0.5, 0.25, 0.75], [0.5, 0.25, 0.75], [0.5, 0.258064516129, 0.741935483871], [0.5, 0.266129032258, 0.733870967742], [0.5, 0.274193548387, 0.725806451613], [0.5, 0.282258064516, 0.717741935484], [0.5, 0.290322580645, 0.709677419355], [0.5, 0.298387096774, 0.701612903226], [0.5, 0.306451612903, 0.693548387097], [0.5, 0.314516129032, 0.685483870968], [0.5, 0.322580645161, 0.677419354839], [0.5, 0.33064516129, 0.66935483871], [0.5, 0.338709677419, 0.661290322581], [0.5, 0.346774193548, 0.653225806452], [0.5, 0.354838709677, 0.645161290323], [0.5, 0.362903225806, 0.637096774194], [0.5, 0.370967741935, 0.629032258065], [0.5, 0.379032258065, 0.620967741935], [0.5, 0.387096774194, 0.612903225806], [0.5, 0.395161290323, 0.604838709677], [0.5, 0.403225806452, 0.596774193548], [0.5, 0.411290322581, 0.588709677419], [0.5, 0.41935483871, 0.58064516129], [0.5, 0.427419354839, 0.572580645161], [0.5, 0.435483870968, 0.564516129032], [0.5, 0.443548387097, 0.556451612903], [0.5, 0.451612903226, 0.548387096774], [0.5, 0.459677419355, 0.540322580645], [0.5, 0.467741935484, 0.532258064516], [0.5, 0.475806451613, 0.524193548387], [0.5, 0.483870967742, 0.516129032258], [0.5, 0.491935483871, 0.508064516129], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.49537037037, 0.49537037037, 0.509259259259], [0.490740740741, 0.490740740741, 0.518518518519], [0.486111111111, 0.486111111111, 0.527777777778], [0.481481481481, 0.481481481481, 0.537037037037], [0.476851851852, 0.476851851852, 0.546296296296], [0.472222222222, 0.472222222222, 0.555555555556], [0.467592592593, 0.467592592593, 0.564814814815], [0.462962962963, 0.462962962963, 0.574074074074], [0.458333333333, 0.458333333333, 0.583333333333], [0.453703703704, 0.453703703704, 0.592592592593], [0.449074074074, 0.449074074074, 0.601851851852], [0.444444444444, 0.444444444444, 0.611111111111], [0.439814814815, 0.439814814815, 0.62037037037], [0.435185185185, 0.435185185185, 0.62962962963], [0.430555555556, 0.430555555556, 0.638888888889], [0.425925925926, 0.425925925926, 0.648148148148], [0.421296296296, 0.421296296296, 0.657407407407], [0.416666666667, 0.416666666667, 0.666666666667], [0.412037037037, 0.412037037037, 0.675925925926], [0.407407407407, 0.407407407407, 0.685185185185], [0.402777777778, 0.402777777778, 0.694444444444], [0.398148148148, 0.398148148148, 0.703703703704], [0.393518518519, 0.393518518519, 0.712962962963], [0.388888888889, 0.388888888889, 0.722222222222], [0.384259259259, 0.384259259259, 0.731481481481], [0.37962962963, 0.37962962963, 0.740740740741], [0.375, 0.375, 0.75], [0.625, 0.25, 0.625], [0.6171875, 0.234375, 0.6171875], [0.609375, 0.21875, 0.609375], [0.6015625, 0.203125, 0.6015625], [0.59375, 0.1875, 0.59375], [0.5859375, 0.171875, 0.5859375], [0.578125, 0.15625, 0.578125], [0.5703125, 0.140625, 0.5703125], [0.5625, 0.125, 0.5625], [0.5546875, 0.109375, 0.5546875], [0.546875, 0.09375, 0.546875], [0.5390625, 0.078125, 0.5390625], [0.53125, 0.0625, 0.53125], [0.5234375, 0.046875, 0.5234375], [0.515625, 0.03125, 0.515625], [0.5078125, 0.015625, 0.5078125], [0.5, 0.0, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "X", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "W", "W", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "U", "U", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "W", "W", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "U", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 8, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 560, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.037037037037, 0.0, 0.0], [0.0740740740741, 0.0, 0.0], [0.111111111111, 0.0, 0.0], [0.148148148148, 0.0, 0.0], [0.185185185185, 0.0, 0.0], [0.222222222222, 0.0, 0.0], [0.259259259259, 0.0, 0.0], [0.296296296296, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.37037037037, 0.0, 0.0], [0.407407407407, 0.0, 0.0], [0.444444444444, 0.0, 0.0], [0.481481481481, 0.0, 0.0], [0.037037037037, 0.037037037037, 0.0], [0.0740740740741, 0.037037037037, 0.0], [0.111111111111, 0.037037037037, 0.0], [0.148148148148, 0.037037037037, 0.0], [0.185185185185, 0.037037037037, 0.0], [0.222222222222, 0.037037037037, 0.0], [0.259259259259, 0.037037037037, 0.0], [0.296296296296, 0.037037037037, 0.0], [0.333333333333, 0.037037037037, 0.0], [0.37037037037, 0.037037037037, 0.0], [0.407407407407, 0.037037037037, 0.0], [0.444444444444, 0.037037037037, 0.0], [0.481481481481, 0.037037037037, 0.0], [-0.481481481481, 0.037037037037, 0.0], [-0.444444444444, 0.037037037037, 0.0], [-0.407407407407, 0.037037037037, 0.0], [-0.37037037037, 0.037037037037, 0.0], [-0.333333333333, 0.037037037037, 0.0], [-0.296296296296, 0.037037037037, 0.0], [-0.259259259259, 0.037037037037, 0.0], [-0.222222222222, 0.037037037037, 0.0], [-0.185185185185, 0.037037037037, 0.0], [-0.148148148148, 0.037037037037, 0.0], [-0.111111111111, 0.037037037037, 0.0], [-0.0740740740741, 0.037037037037, 0.0], [-0.037037037037, 0.037037037037, 0.0], [0.0740740740741, 0.0740740740741, 0.0], [0.111111111111, 0.0740740740741, 0.0], [0.148148148148, 0.0740740740741, 0.0], [0.185185185185, 0.0740740740741, 0.0], [0.222222222222, 0.0740740740741, 0.0], [0.259259259259, 0.0740740740741, 0.0], [0.296296296296, 0.0740740740741, 0.0], [0.333333333333, 0.0740740740741, 0.0], [0.37037037037, 0.0740740740741, 0.0], [0.407407407407, 0.0740740740741, 0.0], [0.444444444444, 0.0740740740741, 0.0], [0.481481481481, 0.0740740740741, 0.0], [-0.481481481481, 0.0740740740741, 0.0], [-0.444444444444, 0.0740740740741, 0.0], [-0.407407407407, 0.0740740740741, 0.0], [-0.37037037037, 0.0740740740741, 0.0], [-0.333333333333, 0.0740740740741, 0.0], [-0.296296296296, 0.0740740740741, 0.0], [-0.259259259259, 0.0740740740741, 0.0], [-0.222222222222, 0.0740740740741, 0.0], [-0.185185185185, 0.0740740740741, 0.0], [-0.148148148148, 0.0740740740741, 0.0], [-0.111111111111, 0.0740740740741, 0.0], [-0.0740740740741, 0.0740740740741, 0.0], [0.111111111111, 0.111111111111, 0.0], [0.148148148148, 0.111111111111, 0.0], [0.185185185185, 0.111111111111, 0.0], [0.222222222222, 0.111111111111, 0.0], [0.259259259259, 0.111111111111, 0.0], [0.296296296296, 0.111111111111, 0.0], [0.333333333333, 0.111111111111, 0.0], [0.37037037037, 0.111111111111, 0.0], [0.407407407407, 0.111111111111, 0.0], [0.444444444444, 0.111111111111, 0.0], [0.481481481481, 0.111111111111, 0.0], [-0.481481481481, 0.111111111111, 0.0], [-0.444444444444, 0.111111111111, 0.0], [-0.407407407407, 0.111111111111, 0.0], [-0.37037037037, 0.111111111111, 0.0], [-0.333333333333, 0.111111111111, 0.0], [-0.296296296296, 0.111111111111, 0.0], [-0.259259259259, 0.111111111111, 0.0], [-0.222222222222, 0.111111111111, 0.0], [-0.185185185185, 0.111111111111, 0.0], [-0.148148148148, 0.111111111111, 0.0], [-0.111111111111, 0.111111111111, 0.0], [0.148148148148, 0.148148148148, 0.0], [0.185185185185, 0.148148148148, 0.0], [0.222222222222, 0.148148148148, 0.0], [0.259259259259, 0.148148148148, 0.0], [0.296296296296, 0.148148148148, 0.0], [0.333333333333, 0.148148148148, 0.0], [0.37037037037, 0.148148148148, 0.0], [0.407407407407, 0.148148148148, 0.0], [0.444444444444, 0.148148148148, 0.0], [0.481481481481, 0.148148148148, 0.0], [-0.481481481481, 0.148148148148, 0.0], [-0.444444444444, 0.148148148148, 0.0], [-0.407407407407, 0.148148148148, 0.0], [-0.37037037037, 0.148148148148, 0.0], [-0.333333333333, 0.148148148148, 0.0], [-0.296296296296, 0.148148148148, 0.0], [-0.259259259259, 0.148148148148, 0.0], [-0.222222222222, 0.148148148148, 0.0], [-0.185185185185, 0.148148148148, 0.0], [-0.148148148148, 0.148148148148, 0.0], [0.185185185185, 0.185185185185, 0.0], [0.222222222222, 0.185185185185, 0.0], [0.259259259259, 0.185185185185, 0.0], [0.296296296296, 0.185185185185, 0.0], [0.333333333333, 0.185185185185, 0.0], [0.37037037037, 0.185185185185, 0.0], [0.407407407407, 0.185185185185, 0.0], [0.444444444444, 0.185185185185, 0.0], [0.481481481481, 0.185185185185, 0.0], [-0.481481481481, 0.185185185185, 0.0], [-0.444444444444, 0.185185185185, 0.0], [-0.407407407407, 0.185185185185, 0.0], [-0.37037037037, 0.185185185185, 0.0], [-0.333333333333, 0.185185185185, 0.0], [-0.296296296296, 0.185185185185, 0.0], [-0.259259259259, 0.185185185185, 0.0], [-0.222222222222, 0.185185185185, 0.0], [-0.185185185185, 0.185185185185, 0.0], [0.222222222222, 0.222222222222, 0.0], [0.259259259259, 0.222222222222, 0.0], [0.296296296296, 0.222222222222, 0.0], [0.333333333333, 0.222222222222, 0.0], [0.37037037037, 0.222222222222, 0.0], [0.407407407407, 0.222222222222, 0.0], [0.444444444444, 0.222222222222, 0.0], [0.481481481481, 0.222222222222, 0.0], [-0.481481481481, 0.222222222222, 0.0], [-0.444444444444, 0.222222222222, 0.0], [-0.407407407407, 0.222222222222, 0.0], [-0.37037037037, 0.222222222222, 0.0], [-0.333333333333, 0.222222222222, 0.0], [-0.296296296296, 0.222222222222, 0.0], [-0.259259259259, 0.222222222222, 0.0], [-0.222222222222, 0.222222222222, 0.0], [0.259259259259, 0.259259259259, 0.0], [0.296296296296, 0.259259259259, 0.0], [0.333333333333, 0.259259259259, 0.0], [0.37037037037, 0.259259259259, 0.0], [0.407407407407, 0.259259259259, 0.0], [0.444444444444, 0.259259259259, 0.0], [0.481481481481, 0.259259259259, 0.0], [-0.481481481481, 0.259259259259, 0.0], [-0.444444444444, 0.259259259259, 0.0], [-0.407407407407, 0.259259259259, 0.0], [-0.37037037037, 0.259259259259, 0.0], [-0.333333333333, 0.259259259259, 0.0], [-0.296296296296, 0.259259259259, 0.0], [-0.259259259259, 0.259259259259, 0.0], [0.296296296296, 0.296296296296, 0.0], [0.333333333333, 0.296296296296, 0.0], [0.37037037037, 0.296296296296, 0.0], [0.407407407407, 0.296296296296, 0.0], [0.444444444444, 0.296296296296, 0.0], [0.481481481481, 0.296296296296, 0.0], [-0.481481481481, 0.296296296296, 0.0], [-0.444444444444, 0.296296296296, 0.0], [-0.407407407407, 0.296296296296, 0.0], [-0.37037037037, 0.296296296296, 0.0], [-0.333333333333, 0.296296296296, 0.0], [-0.296296296296, 0.296296296296, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.37037037037, 0.333333333333, 0.0], [0.407407407407, 0.333333333333, 0.0], [0.444444444444, 0.333333333333, 0.0], [0.481481481481, 0.333333333333, 0.0], [-0.481481481481, 0.333333333333, 0.0], [-0.444444444444, 0.333333333333, 0.0], [-0.407407407407, 0.333333333333, 0.0], [-0.37037037037, 0.333333333333, 0.0], [-0.333333333333, 0.333333333333, 0.0], [0.37037037037, 0.37037037037, 0.0], [0.407407407407, 0.37037037037, 0.0], [0.444444444444, 0.37037037037, 0.0], [0.481481481481, 0.37037037037, 0.0], [-0.481481481481, 0.37037037037, 0.0], [-0.444444444444, 0.37037037037, 0.0], [-0.407407407407, 0.37037037037, 0.0], [-0.37037037037, 0.37037037037, 0.0], [0.407407407407, 0.407407407407, 0.0], [0.444444444444, 0.407407407407, 0.0], [0.481481481481, 0.407407407407, 0.0], [-0.481481481481, 0.407407407407, 0.0], [-0.444444444444, 0.407407407407, 0.0], [-0.407407407407, 0.407407407407, 0.0], [0.444444444444, 0.444444444444, 0.0], [0.481481481481, 0.444444444444, 0.0], [-0.481481481481, 0.444444444444, 0.0], [-0.444444444444, 0.444444444444, 0.0], [0.481481481481, 0.481481481481, 0.0], [-0.481481481481, 0.481481481481, 0.0], [0.111111111111, 0.0740740740741, 0.037037037037], [0.148148148148, 0.0740740740741, 0.037037037037], [0.185185185185, 0.0740740740741, 0.037037037037], [0.222222222222, 0.0740740740741, 0.037037037037], [0.259259259259, 0.0740740740741, 0.037037037037], [0.296296296296, 0.0740740740741, 0.037037037037], [0.333333333333, 0.0740740740741, 0.037037037037], [0.37037037037, 0.0740740740741, 0.037037037037], [0.407407407407, 0.0740740740741, 0.037037037037], [0.444444444444, 0.0740740740741, 0.037037037037], [0.481481481481, 0.0740740740741, 0.037037037037], [-0.481481481481, 0.0740740740741, 0.037037037037], [0.148148148148, 0.111111111111, 0.037037037037], [0.185185185185, 0.111111111111, 0.037037037037], [0.222222222222, 0.111111111111, 0.037037037037], [0.259259259259, 0.111111111111, 0.037037037037], [0.296296296296, 0.111111111111, 0.037037037037], [0.333333333333, 0.111111111111, 0.037037037037], [0.37037037037, 0.111111111111, 0.037037037037], [0.407407407407, 0.111111111111, 0.037037037037], [0.444444444444, 0.111111111111, 0.037037037037], [0.481481481481, 0.111111111111, 0.037037037037], [-0.481481481481, 0.111111111111, 0.037037037037], [-0.444444444444, 0.111111111111, 0.037037037037], [-0.407407407407, 0.111111111111, 0.037037037037], [-0.37037037037, 0.111111111111, 0.037037037037], [-0.333333333333, 0.111111111111, 0.037037037037], [-0.296296296296, 0.111111111111, 0.037037037037], [-0.259259259259, 0.111111111111, 0.037037037037], [-0.222222222222, 0.111111111111, 0.037037037037], [-0.185185185185, 0.111111111111, 0.037037037037], [-0.148148148148, 0.111111111111, 0.037037037037], [-0.111111111111, 0.111111111111, 0.037037037037], [-0.0740740740741, 0.111111111111, 0.037037037037], [0.185185185185, 0.148148148148, 0.037037037037], [0.222222222222, 0.148148148148, 0.037037037037], [0.259259259259, 0.148148148148, 0.037037037037], [0.296296296296, 0.148148148148, 0.037037037037], [0.333333333333, 0.148148148148, 0.037037037037], [0.37037037037, 0.148148148148, 0.037037037037], [0.407407407407, 0.148148148148, 0.037037037037], [0.444444444444, 0.148148148148, 0.037037037037], [0.481481481481, 0.148148148148, 0.037037037037], [-0.481481481481, 0.148148148148, 0.037037037037], [-0.444444444444, 0.148148148148, 0.037037037037], [-0.407407407407, 0.148148148148, 0.037037037037], [-0.37037037037, 0.148148148148, 0.037037037037], [-0.333333333333, 0.148148148148, 0.037037037037], [-0.296296296296, 0.148148148148, 0.037037037037], [-0.259259259259, 0.148148148148, 0.037037037037], [-0.222222222222, 0.148148148148, 0.037037037037], [-0.185185185185, 0.148148148148, 0.037037037037], [-0.148148148148, 0.148148148148, 0.037037037037], [-0.111111111111, 0.148148148148, 0.037037037037], [0.222222222222, 0.185185185185, 0.037037037037], [0.259259259259, 0.185185185185, 0.037037037037], [0.296296296296, 0.185185185185, 0.037037037037], [0.333333333333, 0.185185185185, 0.037037037037], [0.37037037037, 0.185185185185, 0.037037037037], [0.407407407407, 0.185185185185, 0.037037037037], [0.444444444444, 0.185185185185, 0.037037037037], [0.481481481481, 0.185185185185, 0.037037037037], [-0.481481481481, 0.185185185185, 0.037037037037], [-0.444444444444, 0.185185185185, 0.037037037037], [-0.407407407407, 0.185185185185, 0.037037037037], [-0.37037037037, 0.185185185185, 0.037037037037], [-0.333333333333, 0.185185185185, 0.037037037037], [-0.296296296296, 0.185185185185, 0.037037037037], [-0.259259259259, 0.185185185185, 0.037037037037], [-0.222222222222, 0.185185185185, 0.037037037037], [-0.185185185185, 0.185185185185, 0.037037037037], [-0.148148148148, 0.185185185185, 0.037037037037], [0.259259259259, 0.222222222222, 0.037037037037], [0.296296296296, 0.222222222222, 0.037037037037], [0.333333333333, 0.222222222222, 0.037037037037], [0.37037037037, 0.222222222222, 0.037037037037], [0.407407407407, 0.222222222222, 0.037037037037], [0.444444444444, 0.222222222222, 0.037037037037], [0.481481481481, 0.222222222222, 0.037037037037], [-0.481481481481, 0.222222222222, 0.037037037037], [-0.444444444444, 0.222222222222, 0.037037037037], [-0.407407407407, 0.222222222222, 0.037037037037], [-0.37037037037, 0.222222222222, 0.037037037037], [-0.333333333333, 0.222222222222, 0.037037037037], [-0.296296296296, 0.222222222222, 0.037037037037], [-0.259259259259, 0.222222222222, 0.037037037037], [-0.222222222222, 0.222222222222, 0.037037037037], [-0.185185185185, 0.222222222222, 0.037037037037], [0.296296296296, 0.259259259259, 0.037037037037], [0.333333333333, 0.259259259259, 0.037037037037], [0.37037037037, 0.259259259259, 0.037037037037], [0.407407407407, 0.259259259259, 0.037037037037], [0.444444444444, 0.259259259259, 0.037037037037], [0.481481481481, 0.259259259259, 0.037037037037], [-0.481481481481, 0.259259259259, 0.037037037037], [-0.444444444444, 0.259259259259, 0.037037037037], [-0.407407407407, 0.259259259259, 0.037037037037], [-0.37037037037, 0.259259259259, 0.037037037037], [-0.333333333333, 0.259259259259, 0.037037037037], [-0.296296296296, 0.259259259259, 0.037037037037], [-0.259259259259, 0.259259259259, 0.037037037037], [-0.222222222222, 0.259259259259, 0.037037037037], [0.333333333333, 0.296296296296, 0.037037037037], [0.37037037037, 0.296296296296, 0.037037037037], [0.407407407407, 0.296296296296, 0.037037037037], [0.444444444444, 0.296296296296, 0.037037037037], [0.481481481481, 0.296296296296, 0.037037037037], [-0.481481481481, 0.296296296296, 0.037037037037], [-0.444444444444, 0.296296296296, 0.037037037037], [-0.407407407407, 0.296296296296, 0.037037037037], [-0.37037037037, 0.296296296296, 0.037037037037], [-0.333333333333, 0.296296296296, 0.037037037037], [-0.296296296296, 0.296296296296, 0.037037037037], [-0.259259259259, 0.296296296296, 0.037037037037], [0.37037037037, 0.333333333333, 0.037037037037], [0.407407407407, 0.333333333333, 0.037037037037], [0.444444444444, 0.333333333333, 0.037037037037], [0.481481481481, 0.333333333333, 0.037037037037], [-0.481481481481, 0.333333333333, 0.037037037037], [-0.444444444444, 0.333333333333, 0.037037037037], [-0.407407407407, 0.333333333333, 0.037037037037], [-0.37037037037, 0.333333333333, 0.037037037037], [-0.333333333333, 0.333333333333, 0.037037037037], [-0.296296296296, 0.333333333333, 0.037037037037], [0.407407407407, 0.37037037037, 0.037037037037], [0.444444444444, 0.37037037037, 0.037037037037], [0.481481481481, 0.37037037037, 0.037037037037], [-0.481481481481, 0.37037037037, 0.037037037037], [-0.444444444444, 0.37037037037, 0.037037037037], [-0.407407407407, 0.37037037037, 0.037037037037], [-0.37037037037, 0.37037037037, 0.037037037037], [-0.333333333333, 0.37037037037, 0.037037037037], [0.444444444444, 0.407407407407, 0.037037037037], [0.481481481481, 0.407407407407, 0.037037037037], [-0.481481481481, 0.407407407407, 0.037037037037], [-0.444444444444, 0.407407407407, 0.037037037037], [-0.407407407407, 0.407407407407, 0.037037037037], [-0.37037037037, 0.407407407407, 0.037037037037], [0.481481481481, 0.444444444444, 0.037037037037], [-0.481481481481, 0.444444444444, 0.037037037037], [-0.444444444444, 0.444444444444, 0.037037037037], [-0.407407407407, 0.444444444444, 0.037037037037], [-0.481481481481, 0.481481481481, 0.037037037037], [-0.444444444444, 0.481481481481, 0.037037037037], [0.222222222222, 0.148148148148, 0.0740740740741], [0.259259259259, 0.148148148148, 0.0740740740741], [0.296296296296, 0.148148148148, 0.0740740740741], [0.333333333333, 0.148148148148, 0.0740740740741], [0.37037037037, 0.148148148148, 0.0740740740741], [0.407407407407, 0.148148148148, 0.0740740740741], [0.444444444444, 0.148148148148, 0.0740740740741], [0.481481481481, 0.148148148148, 0.0740740740741], [-0.481481481481, 0.148148148148, 0.0740740740741], [-0.444444444444, 0.148148148148, 0.0740740740741], [0.259259259259, 0.185185185185, 0.0740740740741], [0.296296296296, 0.185185185185, 0.0740740740741], [0.333333333333, 0.185185185185, 0.0740740740741], [0.37037037037, 0.185185185185, 0.0740740740741], [0.407407407407, 0.185185185185, 0.0740740740741], [0.444444444444, 0.185185185185, 0.0740740740741], [0.481481481481, 0.185185185185, 0.0740740740741], [-0.481481481481, 0.185185185185, 0.0740740740741], [-0.444444444444, 0.185185185185, 0.0740740740741], [-0.407407407407, 0.185185185185, 0.0740740740741], [-0.37037037037, 0.185185185185, 0.0740740740741], [-0.333333333333, 0.185185185185, 0.0740740740741], [-0.296296296296, 0.185185185185, 0.0740740740741], [-0.259259259259, 0.185185185185, 0.0740740740741], [-0.222222222222, 0.185185185185, 0.0740740740741], [-0.185185185185, 0.185185185185, 0.0740740740741], [-0.148148148148, 0.185185185185, 0.0740740740741], [-0.111111111111, 0.185185185185, 0.0740740740741], [0.296296296296, 0.222222222222, 0.0740740740741], [0.333333333333, 0.222222222222, 0.0740740740741], [0.37037037037, 0.222222222222, 0.0740740740741], [0.407407407407, 0.222222222222, 0.0740740740741], [0.444444444444, 0.222222222222, 0.0740740740741], [0.481481481481, 0.222222222222, 0.0740740740741], [-0.481481481481, 0.222222222222, 0.0740740740741], [-0.444444444444, 0.222222222222, 0.0740740740741], [-0.407407407407, 0.222222222222, 0.0740740740741], [-0.37037037037, 0.222222222222, 0.0740740740741], [-0.333333333333, 0.222222222222, 0.0740740740741], [-0.296296296296, 0.222222222222, 0.0740740740741], [-0.259259259259, 0.222222222222, 0.0740740740741], [-0.222222222222, 0.222222222222, 0.0740740740741], [-0.185185185185, 0.222222222222, 0.0740740740741], [-0.148148148148, 0.222222222222, 0.0740740740741], [0.333333333333, 0.259259259259, 0.0740740740741], [0.37037037037, 0.259259259259, 0.0740740740741], [0.407407407407, 0.259259259259, 0.0740740740741], [0.444444444444, 0.259259259259, 0.0740740740741], [0.481481481481, 0.259259259259, 0.0740740740741], [-0.481481481481, 0.259259259259, 0.0740740740741], [-0.444444444444, 0.259259259259, 0.0740740740741], [-0.407407407407, 0.259259259259, 0.0740740740741], [-0.37037037037, 0.259259259259, 0.0740740740741], [-0.333333333333, 0.259259259259, 0.0740740740741], [-0.296296296296, 0.259259259259, 0.0740740740741], [-0.259259259259, 0.259259259259, 0.0740740740741], [-0.222222222222, 0.259259259259, 0.0740740740741], [-0.185185185185, 0.259259259259, 0.0740740740741], [0.37037037037, 0.296296296296, 0.0740740740741], [0.407407407407, 0.296296296296, 0.0740740740741], [0.444444444444, 0.296296296296, 0.0740740740741], [0.481481481481, 0.296296296296, 0.0740740740741], [-0.481481481481, 0.296296296296, 0.0740740740741], [-0.444444444444, 0.296296296296, 0.0740740740741], [-0.407407407407, 0.296296296296, 0.0740740740741], [-0.37037037037, 0.296296296296, 0.0740740740741], [-0.333333333333, 0.296296296296, 0.0740740740741], [-0.296296296296, 0.296296296296, 0.0740740740741], [-0.259259259259, 0.296296296296, 0.0740740740741], [-0.222222222222, 0.296296296296, 0.0740740740741], [0.407407407407, 0.333333333333, 0.0740740740741], [0.444444444444, 0.333333333333, 0.0740740740741], [0.481481481481, 0.333333333333, 0.0740740740741], [-0.481481481481, 0.333333333333, 0.0740740740741], [-0.444444444444, 0.333333333333, 0.0740740740741], [-0.407407407407, 0.333333333333, 0.0740740740741], [-0.37037037037, 0.333333333333, 0.0740740740741], [-0.333333333333, 0.333333333333, 0.0740740740741], [-0.296296296296, 0.333333333333, 0.0740740740741], [-0.259259259259, 0.333333333333, 0.0740740740741], [0.444444444444, 0.37037037037, 0.0740740740741], [0.481481481481, 0.37037037037, 0.0740740740741], [-0.481481481481, 0.37037037037, 0.0740740740741], [-0.444444444444, 0.37037037037, 0.0740740740741], [-0.407407407407, 0.37037037037, 0.0740740740741], [-0.37037037037, 0.37037037037, 0.0740740740741], [-0.333333333333, 0.37037037037, 0.0740740740741], [-0.296296296296, 0.37037037037, 0.0740740740741], [0.481481481481, 0.407407407407, 0.0740740740741], [-0.481481481481, 0.407407407407, 0.0740740740741], [-0.444444444444, 0.407407407407, 0.0740740740741], [-0.407407407407, 0.407407407407, 0.0740740740741], [-0.37037037037, 0.407407407407, 0.0740740740741], [-0.333333333333, 0.407407407407, 0.0740740740741], [-0.481481481481, 0.444444444444, 0.0740740740741], [-0.444444444444, 0.444444444444, 0.0740740740741], [-0.407407407407, 0.444444444444, 0.0740740740741], [-0.37037037037, 0.444444444444, 0.0740740740741], [-0.444444444444, 0.481481481481, 0.0740740740741], [-0.407407407407, 0.481481481481, 0.0740740740741], [0.333333333333, 0.222222222222, 0.111111111111], [0.37037037037, 0.222222222222, 0.111111111111], [0.407407407407, 0.222222222222, 0.111111111111], [0.444444444444, 0.222222222222, 0.111111111111], [0.481481481481, 0.222222222222, 0.111111111111], [-0.481481481481, 0.222222222222, 0.111111111111], [-0.444444444444, 0.222222222222, 0.111111111111], [-0.407407407407, 0.222222222222, 0.111111111111], [0.37037037037, 0.259259259259, 0.111111111111], [0.407407407407, 0.259259259259, 0.111111111111], [0.444444444444, 0.259259259259, 0.111111111111], [0.481481481481, 0.259259259259, 0.111111111111], [-0.481481481481, 0.259259259259, 0.111111111111], [-0.444444444444, 0.259259259259, 0.111111111111], [-0.407407407407, 0.259259259259, 0.111111111111], [-0.37037037037, 0.259259259259, 0.111111111111], [-0.333333333333, 0.259259259259, 0.111111111111], [-0.296296296296, 0.259259259259, 0.111111111111], [-0.259259259259, 0.259259259259, 0.111111111111], [-0.222222222222, 0.259259259259, 0.111111111111], [-0.185185185185, 0.259259259259, 0.111111111111], [-0.148148148148, 0.259259259259, 0.111111111111], [0.407407407407, 0.296296296296, 0.111111111111], [0.444444444444, 0.296296296296, 0.111111111111], [0.481481481481, 0.296296296296, 0.111111111111], [-0.481481481481, 0.296296296296, 0.111111111111], [-0.444444444444, 0.296296296296, 0.111111111111], [-0.407407407407, 0.296296296296, 0.111111111111], [-0.37037037037, 0.296296296296, 0.111111111111], [-0.333333333333, 0.296296296296, 0.111111111111], [-0.296296296296, 0.296296296296, 0.111111111111], [-0.259259259259, 0.296296296296, 0.111111111111], [-0.222222222222, 0.296296296296, 0.111111111111], [-0.185185185185, 0.296296296296, 0.111111111111], [0.444444444444, 0.333333333333, 0.111111111111], [0.481481481481, 0.333333333333, 0.111111111111], [-0.481481481481, 0.333333333333, 0.111111111111], [-0.444444444444, 0.333333333333, 0.111111111111], [-0.407407407407, 0.333333333333, 0.111111111111], [-0.37037037037, 0.333333333333, 0.111111111111], [-0.333333333333, 0.333333333333, 0.111111111111], [-0.296296296296, 0.333333333333, 0.111111111111], [-0.259259259259, 0.333333333333, 0.111111111111], [-0.222222222222, 0.333333333333, 0.111111111111], [0.481481481481, 0.37037037037, 0.111111111111], [-0.481481481481, 0.37037037037, 0.111111111111], [-0.444444444444, 0.37037037037, 0.111111111111], [-0.407407407407, 0.37037037037, 0.111111111111], [-0.37037037037, 0.37037037037, 0.111111111111], [-0.333333333333, 0.37037037037, 0.111111111111], [-0.296296296296, 0.37037037037, 0.111111111111], [-0.259259259259, 0.37037037037, 0.111111111111], [-0.481481481481, 0.407407407407, 0.111111111111], [-0.444444444444, 0.407407407407, 0.111111111111], [-0.407407407407, 0.407407407407, 0.111111111111], [-0.37037037037, 0.407407407407, 0.111111111111], [-0.333333333333, 0.407407407407, 0.111111111111], [-0.296296296296, 0.407407407407, 0.111111111111], [-0.444444444444, 0.444444444444, 0.111111111111], [-0.407407407407, 0.444444444444, 0.111111111111], [-0.37037037037, 0.444444444444, 0.111111111111], [-0.333333333333, 0.444444444444, 0.111111111111], [-0.407407407407, 0.481481481481, 0.111111111111], [-0.37037037037, 0.481481481481, 0.111111111111], [0.444444444444, 0.296296296296, 0.148148148148], [0.481481481481, 0.296296296296, 0.148148148148], [-0.481481481481, 0.296296296296, 0.148148148148], [-0.444444444444, 0.296296296296, 0.148148148148], [-0.407407407407, 0.296296296296, 0.148148148148], [-0.37037037037, 0.296296296296, 0.148148148148], [0.481481481481, 0.333333333333, 0.148148148148], [-0.481481481481, 0.333333333333, 0.148148148148], [-0.444444444444, 0.333333333333, 0.148148148148], [-0.407407407407, 0.333333333333, 0.148148148148], [-0.37037037037, 0.333333333333, 0.148148148148], [-0.333333333333, 0.333333333333, 0.148148148148], [-0.296296296296, 0.333333333333, 0.148148148148], [-0.259259259259, 0.333333333333, 0.148148148148], [-0.222222222222, 0.333333333333, 0.148148148148], [-0.185185185185, 0.333333333333, 0.148148148148], [-0.481481481481, 0.37037037037, 0.148148148148], [-0.444444444444, 0.37037037037, 0.148148148148], [-0.407407407407, 0.37037037037, 0.148148148148], [-0.37037037037, 0.37037037037, 0.148148148148], [-0.333333333333, 0.37037037037, 0.148148148148], [-0.296296296296, 0.37037037037, 0.148148148148], [-0.259259259259, 0.37037037037, 0.148148148148], [-0.222222222222, 0.37037037037, 0.148148148148], [-0.444444444444, 0.407407407407, 0.148148148148], [-0.407407407407, 0.407407407407, 0.148148148148], [-0.37037037037, 0.407407407407, 0.148148148148], [-0.333333333333, 0.407407407407, 0.148148148148], [-0.296296296296, 0.407407407407, 0.148148148148], [-0.259259259259, 0.407407407407, 0.148148148148], [-0.407407407407, 0.444444444444, 0.148148148148], [-0.37037037037, 0.444444444444, 0.148148148148], [-0.333333333333, 0.444444444444, 0.148148148148], [-0.296296296296, 0.444444444444, 0.148148148148], [-0.37037037037, 0.481481481481, 0.148148148148], [-0.333333333333, 0.481481481481, 0.148148148148], [-0.444444444444, 0.37037037037, 0.185185185185], [-0.407407407407, 0.37037037037, 0.185185185185], [-0.37037037037, 0.37037037037, 0.185185185185], [-0.333333333333, 0.37037037037, 0.185185185185], [-0.407407407407, 0.407407407407, 0.185185185185], [-0.37037037037, 0.407407407407, 0.185185185185], [-0.333333333333, 0.407407407407, 0.185185185185], [-0.296296296296, 0.407407407407, 0.185185185185], [-0.259259259259, 0.407407407407, 0.185185185185], [-0.222222222222, 0.407407407407, 0.185185185185], [-0.37037037037, 0.444444444444, 0.185185185185], [-0.333333333333, 0.444444444444, 0.185185185185], [-0.296296296296, 0.444444444444, 0.185185185185], [-0.259259259259, 0.444444444444, 0.185185185185], [-0.333333333333, 0.481481481481, 0.185185185185], [-0.296296296296, 0.481481481481, 0.185185185185], [-0.333333333333, 0.444444444444, 0.222222222222], [-0.296296296296, 0.444444444444, 0.222222222222], [-0.296296296296, 0.481481481481, 0.222222222222], [-0.259259259259, 0.481481481481, 0.222222222222]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 24.0, 24.0, 12.0, 6.0, 24.0, 24.0, 12.0, 6.0, 12.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 24.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.549109, -0.894379, -2.212377], [0.0, -1.788757, 2.212377], [-1.54911, 0.894379, 2.212377]], "a": 2.8450420875008158, "b": 2.8450419320597016, "c": 2.845042631995169, "alpha": 65.98023310384575, "beta": 114.0197674350707, "gamma": 114.01977178283055, "volume": 18.391363751228624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "incar": {"ALGO": "Fast", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "KPAR": 8, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [0.6], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 9]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": -0.0014506}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}]}, "nsites": 1, "elements": ["Li"], "nelements": 1, "composition": {"Li": 1.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 20.153852391203667, "density": 0.5718907359701879, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555da"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:20:00.176000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-27 17:28:32"}, "task_ids": ["mp-926188", "mp-1097022", "mp-926701", "mp-1440284", "mp-10173", "mp-910359"], "deprecated_tasks": [], "task_id": "mp-10173", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-926188", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-01-30 22:06:12"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-926188", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-01-30 22:06:12"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1440284", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:20:00.176000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1440284", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:20:00.176000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1440284", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:20:00.176000"}}], "task_types": {"mp-926188": "GGA NSCF Uniform", "mp-910359": "GGA Static", "mp-926701": "GGA NSCF Line", "mp-10173": "GGA Structure Optimization", "mp-1097022": "GGA Structure Optimization", "mp-1440284": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-926701", "cbm": null, "dos_task": "mp-926188", "efermi": -0.24209444, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-926188", "vbm": null}, "energy": -3.81279734, "energy_per_atom": -1.90639867, "entries": {"gga": {"composition": {"Li": 2.0}, "energy": -3.81279734, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1440284"}, "entry_id": "mp-10173"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 0.0, -3.600364], [-1.908123, -3.304966, 0.0], [-1.908123, 3.304966, 0.0]], "a": 3.600364, "b": 3.816246014643841, "c": 3.816246014643841, "alpha": 120.00000025386957, "beta": 90.0, "gamma": 90.0, "volume": 45.409818772522655}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.573, 0.3334, 0.6667], "xyz": [-1.9083138122999999, 1.1015451678000001, -2.0630085719999998], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.073, 0.6666, 0.3333], "xyz": [-1.9079321877000002, -1.1015451678, -0.262826572], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li2"}, "incar": {"ALGO": "Normal", "EDIFF": 2e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 12, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 265, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0138888888889, 0.0, 0.0], [0.0277777777778, 0.0, 0.0], [0.0416666666667, 0.0, 0.0], [0.0555555555556, 0.0, 0.0], [0.0694444444444, 0.0, 0.0], [0.0833333333333, 0.0, 0.0], [0.0972222222222, 0.0, 0.0], [0.111111111111, 0.0, 0.0], [0.125, 0.0, 0.0], [0.138888888889, 0.0, 0.0], [0.152777777778, 0.0, 0.0], [0.166666666667, 0.0, 0.0], [0.180555555556, 0.0, 0.0], [0.194444444444, 0.0, 0.0], [0.208333333333, 1.38777878078e-17, 0.0], [0.222222222222, 0.0, 0.0], [0.236111111111, 1.38777878078e-17, 0.0], [0.25, 0.0, 0.0], [0.263888888889, 0.0, 0.0], [0.277777777778, 0.0, 0.0], [0.291666666667, 0.0, 0.0], [0.305555555556, 0.0, 0.0], [0.319444444444, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.347222222222, 0.0, 0.0], [0.361111111111, 0.0, 0.0], [0.375, 0.0, 0.0], [0.388888888889, 0.0, 0.0], [0.402777777778, 0.0, 0.0], [0.416666666667, 2.77555756156e-17, 0.0], [0.430555555556, 0.0, 0.0], [0.444444444444, 0.0, 0.0], [0.458333333333, 0.0, 0.0], [0.472222222222, 2.77555756156e-17, 0.0], [0.486111111111, 0.0, 0.0], [0.5, 0.0, 0.0], [0.5, 0.0, 0.0], [0.492063492063, 0.015873015873, 0.0], [0.484126984127, 0.031746031746, 0.0], [0.47619047619, 0.047619047619, 0.0], [0.468253968254, 0.0634920634921, 0.0], [0.460317460317, 0.0793650793651, 0.0], [0.452380952381, 0.0952380952381, 0.0], [0.444444444444, 0.111111111111, 0.0], [0.436507936508, 0.126984126984, 0.0], [0.428571428571, 0.142857142857, 0.0], [0.420634920635, 0.15873015873, 0.0], [0.412698412698, 0.174603174603, 0.0], [0.404761904762, 0.190476190476, 0.0], [0.396825396825, 0.206349206349, 0.0], [0.388888888889, 0.222222222222, 0.0], [0.380952380952, 0.238095238095, 0.0], [0.373015873016, 0.253968253968, 0.0], [0.365079365079, 0.269841269841, 0.0], [0.357142857143, 0.285714285714, 0.0], [0.349206349206, 0.301587301587, 0.0], [0.34126984127, 0.31746031746, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.325203252033, 0.325203252033, 0.0], [0.317073170732, 0.317073170732, 0.0], [0.308943089431, 0.308943089431, 0.0], [0.30081300813, 0.30081300813, 0.0], [0.292682926829, 0.292682926829, 0.0], [0.284552845528, 0.284552845528, 0.0], [0.276422764228, 0.276422764228, 0.0], [0.268292682927, 0.268292682927, 0.0], [0.260162601626, 0.260162601626, 0.0], [0.252032520325, 0.252032520325, 0.0], [0.243902439024, 0.243902439024, 0.0], [0.235772357724, 0.235772357724, 0.0], [0.227642276423, 0.227642276423, 0.0], [0.219512195122, 0.219512195122, 0.0], [0.211382113821, 0.211382113821, 0.0], [0.20325203252, 0.20325203252, 0.0], [0.19512195122, 0.19512195122, 0.0], [0.186991869919, 0.186991869919, 0.0], [0.178861788618, 0.178861788618, 0.0], [0.170731707317, 0.170731707317, 0.0], [0.162601626016, 0.162601626016, 0.0], [0.154471544715, 0.154471544715, 0.0], [0.146341463415, 0.146341463415, 0.0], [0.138211382114, 0.138211382114, 0.0], [0.130081300813, 0.130081300813, 0.0], [0.121951219512, 0.121951219512, 0.0], [0.113821138211, 0.113821138211, 0.0], [0.105691056911, 0.105691056911, 0.0], [0.0975609756098, 0.0975609756098, 0.0], [0.0894308943089, 0.0894308943089, 0.0], [0.0813008130081, 0.0813008130081, 0.0], [0.0731707317073, 0.0731707317073, 0.0], [0.0650406504065, 0.0650406504065, 0.0], [0.0569105691057, 0.0569105691057, 0.0], [0.0487804878049, 0.0487804878049, 0.0], [0.0406504065041, 0.0406504065041, 0.0], [0.0325203252033, 0.0325203252033, 0.0], [0.0243902439024, 0.0243902439024, 0.0], [0.0162601626016, 0.0162601626016, 0.0], [0.00813008130081, 0.00813008130081, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.025], [0.0, 0.0, 0.05], [0.0, 0.0, 0.075], [0.0, 0.0, 0.1], [0.0, 0.0, 0.125], [0.0, 0.0, 0.15], [0.0, 0.0, 0.175], [0.0, 0.0, 0.2], [0.0, 0.0, 0.225], [0.0, 0.0, 0.25], [0.0, 0.0, 0.275], [0.0, 0.0, 0.3], [0.0, 0.0, 0.325], [0.0, 0.0, 0.35], [0.0, 0.0, 0.375], [0.0, 0.0, 0.4], [0.0, 0.0, 0.425], [0.0, 0.0, 0.45], [0.0, 0.0, 0.475], [0.0, 0.0, 0.5], [0.0, 0.0, 0.5], [0.0138888888889, 0.0, 0.5], [0.0277777777778, 0.0, 0.5], [0.0416666666667, 0.0, 0.5], [0.0555555555556, 0.0, 0.5], [0.0694444444444, 0.0, 0.5], [0.0833333333333, 0.0, 0.5], [0.0972222222222, 0.0, 0.5], [0.111111111111, 0.0, 0.5], [0.125, 0.0, 0.5], [0.138888888889, 0.0, 0.5], [0.152777777778, 0.0, 0.5], [0.166666666667, 0.0, 0.5], [0.180555555556, 0.0, 0.5], [0.194444444444, 0.0, 0.5], [0.208333333333, 1.38777878078e-17, 0.5], [0.222222222222, 0.0, 0.5], [0.236111111111, 1.38777878078e-17, 0.5], [0.25, 0.0, 0.5], [0.263888888889, 0.0, 0.5], [0.277777777778, 0.0, 0.5], [0.291666666667, 0.0, 0.5], [0.305555555556, 0.0, 0.5], [0.319444444444, 0.0, 0.5], [0.333333333333, 0.0, 0.5], [0.347222222222, 0.0, 0.5], [0.361111111111, 0.0, 0.5], [0.375, 0.0, 0.5], [0.388888888889, 0.0, 0.5], [0.402777777778, 0.0, 0.5], [0.416666666667, 2.77555756156e-17, 0.5], [0.430555555556, 0.0, 0.5], [0.444444444444, 0.0, 0.5], [0.458333333333, 0.0, 0.5], [0.472222222222, 2.77555756156e-17, 0.5], [0.486111111111, 0.0, 0.5], [0.5, 0.0, 0.5], [0.5, 0.0, 0.5], [0.492063492063, 0.015873015873, 0.5], [0.484126984127, 0.031746031746, 0.5], [0.47619047619, 0.047619047619, 0.5], [0.468253968254, 0.0634920634921, 0.5], [0.460317460317, 0.0793650793651, 0.5], [0.452380952381, 0.0952380952381, 0.5], [0.444444444444, 0.111111111111, 0.5], [0.436507936508, 0.126984126984, 0.5], [0.428571428571, 0.142857142857, 0.5], [0.420634920635, 0.15873015873, 0.5], [0.412698412698, 0.174603174603, 0.5], [0.404761904762, 0.190476190476, 0.5], [0.396825396825, 0.206349206349, 0.5], [0.388888888889, 0.222222222222, 0.5], [0.380952380952, 0.238095238095, 0.5], [0.373015873016, 0.253968253968, 0.5], [0.365079365079, 0.269841269841, 0.5], [0.357142857143, 0.285714285714, 0.5], [0.349206349206, 0.301587301587, 0.5], [0.34126984127, 0.31746031746, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.325203252033, 0.325203252033, 0.5], [0.317073170732, 0.317073170732, 0.5], [0.308943089431, 0.308943089431, 0.5], [0.30081300813, 0.30081300813, 0.5], [0.292682926829, 0.292682926829, 0.5], [0.284552845528, 0.284552845528, 0.5], [0.276422764228, 0.276422764228, 0.5], [0.268292682927, 0.268292682927, 0.5], [0.260162601626, 0.260162601626, 0.5], [0.252032520325, 0.252032520325, 0.5], [0.243902439024, 0.243902439024, 0.5], [0.235772357724, 0.235772357724, 0.5], [0.227642276423, 0.227642276423, 0.5], [0.219512195122, 0.219512195122, 0.5], [0.211382113821, 0.211382113821, 0.5], [0.20325203252, 0.20325203252, 0.5], [0.19512195122, 0.19512195122, 0.5], [0.186991869919, 0.186991869919, 0.5], [0.178861788618, 0.178861788618, 0.5], [0.170731707317, 0.170731707317, 0.5], [0.162601626016, 0.162601626016, 0.5], [0.154471544715, 0.154471544715, 0.5], [0.146341463415, 0.146341463415, 0.5], [0.138211382114, 0.138211382114, 0.5], [0.130081300813, 0.130081300813, 0.5], [0.121951219512, 0.121951219512, 0.5], [0.113821138211, 0.113821138211, 0.5], [0.105691056911, 0.105691056911, 0.5], [0.0975609756098, 0.0975609756098, 0.5], [0.0894308943089, 0.0894308943089, 0.5], [0.0813008130081, 0.0813008130081, 0.5], [0.0731707317073, 0.0731707317073, 0.5], [0.0650406504065, 0.0650406504065, 0.5], [0.0569105691057, 0.0569105691057, 0.5], [0.0487804878049, 0.0487804878049, 0.5], [0.0406504065041, 0.0406504065041, 0.5], [0.0325203252033, 0.0325203252033, 0.5], [0.0243902439024, 0.0243902439024, 0.5], [0.0162601626016, 0.0162601626016, 0.5], [0.00813008130081, 0.00813008130081, 0.5], [0.0, 0.0, 0.5], [0.5, 0.0, 0.5], [0.5, 0.0, 0.475], [0.5, 0.0, 0.45], [0.5, 0.0, 0.425], [0.5, 0.0, 0.4], [0.5, 0.0, 0.375], [0.5, 0.0, 0.35], [0.5, 0.0, 0.325], [0.5, 0.0, 0.3], [0.5, 0.0, 0.275], [0.5, 0.0, 0.25], [0.5, 0.0, 0.225], [0.5, 0.0, 0.2], [0.5, 0.0, 0.175], [0.5, 0.0, 0.15], [0.5, 0.0, 0.125], [0.5, 0.0, 0.1], [0.5, 0.0, 0.075], [0.5, 0.0, 0.05], [0.5, 0.0, 0.025], [0.5, 0.0, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.025], [0.333333333333, 0.333333333333, 0.05], [0.333333333333, 0.333333333333, 0.075], [0.333333333333, 0.333333333333, 0.1], [0.333333333333, 0.333333333333, 0.125], [0.333333333333, 0.333333333333, 0.15], [0.333333333333, 0.333333333333, 0.175], [0.333333333333, 0.333333333333, 0.2], [0.333333333333, 0.333333333333, 0.225], [0.333333333333, 0.333333333333, 0.25], [0.333333333333, 0.333333333333, 0.275], [0.333333333333, 0.333333333333, 0.3], [0.333333333333, 0.333333333333, 0.325], [0.333333333333, 0.333333333333, 0.35], [0.333333333333, 0.333333333333, 0.375], [0.333333333333, 0.333333333333, 0.4], [0.333333333333, 0.333333333333, 0.425], [0.333333333333, 0.333333333333, 0.45], [0.333333333333, 0.333333333333, 0.475], [0.333333333333, 0.333333333333, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "A", "A", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "A", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li2"}, "incar": {"ALGO": "Normal", "EDIFF": 2e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 10, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 585, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.04, 0.0, 0.0], [0.08, 0.0, 0.0], [0.12, 0.0, 0.0], [0.16, 0.0, 0.0], [0.2, 0.0, 0.0], [0.24, 0.0, 0.0], [0.28, 0.0, 0.0], [0.32, 0.0, 0.0], [0.36, 0.0, 0.0], [0.4, 0.0, 0.0], [0.44, 0.0, 0.0], [0.48, 0.0, 0.0], [0.04, 0.04, 0.0], [0.08, 0.04, 0.0], [0.12, 0.04, 0.0], [0.16, 0.04, 0.0], [0.2, 0.04, 0.0], [0.24, 0.04, 0.0], [0.28, 0.04, 0.0], [0.32, 0.04, 0.0], [0.36, 0.04, 0.0], [0.4, 0.04, 0.0], [0.44, 0.04, 0.0], [0.48, 0.04, 0.0], [0.08, 0.08, 0.0], [0.12, 0.08, 0.0], [0.16, 0.08, 0.0], [0.2, 0.08, 0.0], [0.24, 0.08, 0.0], [0.28, 0.08, 0.0], [0.32, 0.08, 0.0], [0.36, 0.08, 0.0], [0.4, 0.08, 0.0], [0.44, 0.08, 0.0], [0.12, 0.12, 0.0], [0.16, 0.12, 0.0], [0.2, 0.12, 0.0], [0.24, 0.12, 0.0], [0.28, 0.12, 0.0], [0.32, 0.12, 0.0], [0.36, 0.12, 0.0], [0.4, 0.12, 0.0], [0.44, 0.12, 0.0], [0.16, 0.16, 0.0], [0.2, 0.16, 0.0], [0.24, 0.16, 0.0], [0.28, 0.16, 0.0], [0.32, 0.16, 0.0], [0.36, 0.16, 0.0], [0.4, 0.16, 0.0], [0.2, 0.2, 0.0], [0.24, 0.2, 0.0], [0.28, 0.2, 0.0], [0.32, 0.2, 0.0], [0.36, 0.2, 0.0], [0.4, 0.2, 0.0], [0.24, 0.24, 0.0], [0.28, 0.24, 0.0], [0.32, 0.24, 0.0], [0.36, 0.24, 0.0], [0.28, 0.28, 0.0], [0.32, 0.28, 0.0], [0.36, 0.28, 0.0], [0.32, 0.32, 0.0], [0.0, 0.0, 0.0588235294118], [0.04, 0.0, 0.0588235294118], [0.08, 0.0, 0.0588235294118], [0.12, 0.0, 0.0588235294118], [0.16, 0.0, 0.0588235294118], [0.2, 0.0, 0.0588235294118], [0.24, 0.0, 0.0588235294118], [0.28, 0.0, 0.0588235294118], [0.32, 0.0, 0.0588235294118], [0.36, 0.0, 0.0588235294118], [0.4, 0.0, 0.0588235294118], [0.44, 0.0, 0.0588235294118], [0.48, 0.0, 0.0588235294118], [0.04, 0.04, 0.0588235294118], [0.08, 0.04, 0.0588235294118], [0.12, 0.04, 0.0588235294118], [0.16, 0.04, 0.0588235294118], [0.2, 0.04, 0.0588235294118], [0.24, 0.04, 0.0588235294118], [0.28, 0.04, 0.0588235294118], [0.32, 0.04, 0.0588235294118], [0.36, 0.04, 0.0588235294118], [0.4, 0.04, 0.0588235294118], [0.44, 0.04, 0.0588235294118], [0.48, 0.04, 0.0588235294118], [0.08, 0.08, 0.0588235294118], [0.12, 0.08, 0.0588235294118], [0.16, 0.08, 0.0588235294118], [0.2, 0.08, 0.0588235294118], [0.24, 0.08, 0.0588235294118], [0.28, 0.08, 0.0588235294118], [0.32, 0.08, 0.0588235294118], [0.36, 0.08, 0.0588235294118], [0.4, 0.08, 0.0588235294118], [0.44, 0.08, 0.0588235294118], [0.12, 0.12, 0.0588235294118], [0.16, 0.12, 0.0588235294118], [0.2, 0.12, 0.0588235294118], [0.24, 0.12, 0.0588235294118], [0.28, 0.12, 0.0588235294118], [0.32, 0.12, 0.0588235294118], [0.36, 0.12, 0.0588235294118], [0.4, 0.12, 0.0588235294118], [0.44, 0.12, 0.0588235294118], [0.16, 0.16, 0.0588235294118], [0.2, 0.16, 0.0588235294118], [0.24, 0.16, 0.0588235294118], [0.28, 0.16, 0.0588235294118], [0.32, 0.16, 0.0588235294118], [0.36, 0.16, 0.0588235294118], [0.4, 0.16, 0.0588235294118], [0.2, 0.2, 0.0588235294118], [0.24, 0.2, 0.0588235294118], [0.28, 0.2, 0.0588235294118], [0.32, 0.2, 0.0588235294118], [0.36, 0.2, 0.0588235294118], [0.4, 0.2, 0.0588235294118], [0.24, 0.24, 0.0588235294118], [0.28, 0.24, 0.0588235294118], [0.32, 0.24, 0.0588235294118], [0.36, 0.24, 0.0588235294118], [0.28, 0.28, 0.0588235294118], [0.32, 0.28, 0.0588235294118], [0.36, 0.28, 0.0588235294118], [0.32, 0.32, 0.0588235294118], [0.0, 0.0, 0.117647058824], [0.04, 0.0, 0.117647058824], [0.08, 0.0, 0.117647058824], [0.12, 0.0, 0.117647058824], [0.16, 0.0, 0.117647058824], [0.2, 0.0, 0.117647058824], [0.24, 0.0, 0.117647058824], [0.28, 0.0, 0.117647058824], [0.32, 0.0, 0.117647058824], [0.36, 0.0, 0.117647058824], [0.4, 0.0, 0.117647058824], [0.44, 0.0, 0.117647058824], [0.48, 0.0, 0.117647058824], [0.04, 0.04, 0.117647058824], [0.08, 0.04, 0.117647058824], [0.12, 0.04, 0.117647058824], [0.16, 0.04, 0.117647058824], [0.2, 0.04, 0.117647058824], [0.24, 0.04, 0.117647058824], [0.28, 0.04, 0.117647058824], [0.32, 0.04, 0.117647058824], [0.36, 0.04, 0.117647058824], [0.4, 0.04, 0.117647058824], [0.44, 0.04, 0.117647058824], [0.48, 0.04, 0.117647058824], [0.08, 0.08, 0.117647058824], [0.12, 0.08, 0.117647058824], [0.16, 0.08, 0.117647058824], [0.2, 0.08, 0.117647058824], [0.24, 0.08, 0.117647058824], [0.28, 0.08, 0.117647058824], [0.32, 0.08, 0.117647058824], [0.36, 0.08, 0.117647058824], [0.4, 0.08, 0.117647058824], [0.44, 0.08, 0.117647058824], [0.12, 0.12, 0.117647058824], [0.16, 0.12, 0.117647058824], [0.2, 0.12, 0.117647058824], [0.24, 0.12, 0.117647058824], [0.28, 0.12, 0.117647058824], [0.32, 0.12, 0.117647058824], [0.36, 0.12, 0.117647058824], [0.4, 0.12, 0.117647058824], [0.44, 0.12, 0.117647058824], [0.16, 0.16, 0.117647058824], [0.2, 0.16, 0.117647058824], [0.24, 0.16, 0.117647058824], [0.28, 0.16, 0.117647058824], [0.32, 0.16, 0.117647058824], [0.36, 0.16, 0.117647058824], [0.4, 0.16, 0.117647058824], [0.2, 0.2, 0.117647058824], [0.24, 0.2, 0.117647058824], [0.28, 0.2, 0.117647058824], [0.32, 0.2, 0.117647058824], [0.36, 0.2, 0.117647058824], [0.4, 0.2, 0.117647058824], [0.24, 0.24, 0.117647058824], [0.28, 0.24, 0.117647058824], [0.32, 0.24, 0.117647058824], [0.36, 0.24, 0.117647058824], [0.28, 0.28, 0.117647058824], [0.32, 0.28, 0.117647058824], [0.36, 0.28, 0.117647058824], [0.32, 0.32, 0.117647058824], [0.0, 0.0, 0.176470588235], [0.04, 0.0, 0.176470588235], [0.08, 0.0, 0.176470588235], [0.12, 0.0, 0.176470588235], [0.16, 0.0, 0.176470588235], [0.2, 0.0, 0.176470588235], [0.24, 0.0, 0.176470588235], [0.28, 0.0, 0.176470588235], [0.32, 0.0, 0.176470588235], [0.36, 0.0, 0.176470588235], [0.4, 0.0, 0.176470588235], [0.44, 0.0, 0.176470588235], [0.48, 0.0, 0.176470588235], [0.04, 0.04, 0.176470588235], [0.08, 0.04, 0.176470588235], [0.12, 0.04, 0.176470588235], [0.16, 0.04, 0.176470588235], [0.2, 0.04, 0.176470588235], [0.24, 0.04, 0.176470588235], [0.28, 0.04, 0.176470588235], [0.32, 0.04, 0.176470588235], [0.36, 0.04, 0.176470588235], [0.4, 0.04, 0.176470588235], [0.44, 0.04, 0.176470588235], [0.48, 0.04, 0.176470588235], [0.08, 0.08, 0.176470588235], [0.12, 0.08, 0.176470588235], [0.16, 0.08, 0.176470588235], [0.2, 0.08, 0.176470588235], [0.24, 0.08, 0.176470588235], [0.28, 0.08, 0.176470588235], [0.32, 0.08, 0.176470588235], [0.36, 0.08, 0.176470588235], [0.4, 0.08, 0.176470588235], [0.44, 0.08, 0.176470588235], [0.12, 0.12, 0.176470588235], [0.16, 0.12, 0.176470588235], [0.2, 0.12, 0.176470588235], [0.24, 0.12, 0.176470588235], [0.28, 0.12, 0.176470588235], [0.32, 0.12, 0.176470588235], [0.36, 0.12, 0.176470588235], [0.4, 0.12, 0.176470588235], [0.44, 0.12, 0.176470588235], [0.16, 0.16, 0.176470588235], [0.2, 0.16, 0.176470588235], [0.24, 0.16, 0.176470588235], [0.28, 0.16, 0.176470588235], [0.32, 0.16, 0.176470588235], [0.36, 0.16, 0.176470588235], [0.4, 0.16, 0.176470588235], [0.2, 0.2, 0.176470588235], [0.24, 0.2, 0.176470588235], [0.28, 0.2, 0.176470588235], [0.32, 0.2, 0.176470588235], [0.36, 0.2, 0.176470588235], [0.4, 0.2, 0.176470588235], [0.24, 0.24, 0.176470588235], [0.28, 0.24, 0.176470588235], [0.32, 0.24, 0.176470588235], [0.36, 0.24, 0.176470588235], [0.28, 0.28, 0.176470588235], [0.32, 0.28, 0.176470588235], [0.36, 0.28, 0.176470588235], [0.32, 0.32, 0.176470588235], [0.0, 0.0, 0.235294117647], [0.04, 0.0, 0.235294117647], [0.08, 0.0, 0.235294117647], [0.12, 0.0, 0.235294117647], [0.16, 0.0, 0.235294117647], [0.2, 0.0, 0.235294117647], [0.24, 0.0, 0.235294117647], [0.28, 0.0, 0.235294117647], [0.32, 0.0, 0.235294117647], [0.36, 0.0, 0.235294117647], [0.4, 0.0, 0.235294117647], [0.44, 0.0, 0.235294117647], [0.48, 0.0, 0.235294117647], [0.04, 0.04, 0.235294117647], [0.08, 0.04, 0.235294117647], [0.12, 0.04, 0.235294117647], [0.16, 0.04, 0.235294117647], [0.2, 0.04, 0.235294117647], [0.24, 0.04, 0.235294117647], [0.28, 0.04, 0.235294117647], [0.32, 0.04, 0.235294117647], [0.36, 0.04, 0.235294117647], [0.4, 0.04, 0.235294117647], [0.44, 0.04, 0.235294117647], [0.48, 0.04, 0.235294117647], [0.08, 0.08, 0.235294117647], [0.12, 0.08, 0.235294117647], [0.16, 0.08, 0.235294117647], [0.2, 0.08, 0.235294117647], [0.24, 0.08, 0.235294117647], [0.28, 0.08, 0.235294117647], [0.32, 0.08, 0.235294117647], [0.36, 0.08, 0.235294117647], [0.4, 0.08, 0.235294117647], [0.44, 0.08, 0.235294117647], [0.12, 0.12, 0.235294117647], [0.16, 0.12, 0.235294117647], [0.2, 0.12, 0.235294117647], [0.24, 0.12, 0.235294117647], [0.28, 0.12, 0.235294117647], [0.32, 0.12, 0.235294117647], [0.36, 0.12, 0.235294117647], [0.4, 0.12, 0.235294117647], [0.44, 0.12, 0.235294117647], [0.16, 0.16, 0.235294117647], [0.2, 0.16, 0.235294117647], [0.24, 0.16, 0.235294117647], [0.28, 0.16, 0.235294117647], [0.32, 0.16, 0.235294117647], [0.36, 0.16, 0.235294117647], [0.4, 0.16, 0.235294117647], [0.2, 0.2, 0.235294117647], [0.24, 0.2, 0.235294117647], [0.28, 0.2, 0.235294117647], [0.32, 0.2, 0.235294117647], [0.36, 0.2, 0.235294117647], [0.4, 0.2, 0.235294117647], [0.24, 0.24, 0.235294117647], [0.28, 0.24, 0.235294117647], [0.32, 0.24, 0.235294117647], [0.36, 0.24, 0.235294117647], [0.28, 0.28, 0.235294117647], [0.32, 0.28, 0.235294117647], [0.36, 0.28, 0.235294117647], [0.32, 0.32, 0.235294117647], [0.0, 0.0, 0.294117647059], [0.04, 0.0, 0.294117647059], [0.08, 0.0, 0.294117647059], [0.12, 0.0, 0.294117647059], [0.16, 0.0, 0.294117647059], [0.2, 0.0, 0.294117647059], [0.24, 0.0, 0.294117647059], [0.28, 0.0, 0.294117647059], [0.32, 0.0, 0.294117647059], [0.36, 0.0, 0.294117647059], [0.4, 0.0, 0.294117647059], [0.44, 0.0, 0.294117647059], [0.48, 0.0, 0.294117647059], [0.04, 0.04, 0.294117647059], [0.08, 0.04, 0.294117647059], [0.12, 0.04, 0.294117647059], [0.16, 0.04, 0.294117647059], [0.2, 0.04, 0.294117647059], [0.24, 0.04, 0.294117647059], [0.28, 0.04, 0.294117647059], [0.32, 0.04, 0.294117647059], [0.36, 0.04, 0.294117647059], [0.4, 0.04, 0.294117647059], [0.44, 0.04, 0.294117647059], [0.48, 0.04, 0.294117647059], [0.08, 0.08, 0.294117647059], [0.12, 0.08, 0.294117647059], [0.16, 0.08, 0.294117647059], [0.2, 0.08, 0.294117647059], [0.24, 0.08, 0.294117647059], [0.28, 0.08, 0.294117647059], [0.32, 0.08, 0.294117647059], [0.36, 0.08, 0.294117647059], [0.4, 0.08, 0.294117647059], [0.44, 0.08, 0.294117647059], [0.12, 0.12, 0.294117647059], [0.16, 0.12, 0.294117647059], [0.2, 0.12, 0.294117647059], [0.24, 0.12, 0.294117647059], [0.28, 0.12, 0.294117647059], [0.32, 0.12, 0.294117647059], [0.36, 0.12, 0.294117647059], [0.4, 0.12, 0.294117647059], [0.44, 0.12, 0.294117647059], [0.16, 0.16, 0.294117647059], [0.2, 0.16, 0.294117647059], [0.24, 0.16, 0.294117647059], [0.28, 0.16, 0.294117647059], [0.32, 0.16, 0.294117647059], [0.36, 0.16, 0.294117647059], [0.4, 0.16, 0.294117647059], [0.2, 0.2, 0.294117647059], [0.24, 0.2, 0.294117647059], [0.28, 0.2, 0.294117647059], [0.32, 0.2, 0.294117647059], [0.36, 0.2, 0.294117647059], [0.4, 0.2, 0.294117647059], [0.24, 0.24, 0.294117647059], [0.28, 0.24, 0.294117647059], [0.32, 0.24, 0.294117647059], [0.36, 0.24, 0.294117647059], [0.28, 0.28, 0.294117647059], [0.32, 0.28, 0.294117647059], [0.36, 0.28, 0.294117647059], [0.32, 0.32, 0.294117647059], [0.0, 0.0, 0.352941176471], [0.04, 0.0, 0.352941176471], [0.08, 0.0, 0.352941176471], [0.12, 0.0, 0.352941176471], [0.16, 0.0, 0.352941176471], [0.2, 0.0, 0.352941176471], [0.24, 0.0, 0.352941176471], [0.28, 0.0, 0.352941176471], [0.32, 0.0, 0.352941176471], [0.36, 0.0, 0.352941176471], [0.4, 0.0, 0.352941176471], [0.44, 0.0, 0.352941176471], [0.48, 0.0, 0.352941176471], [0.04, 0.04, 0.352941176471], [0.08, 0.04, 0.352941176471], [0.12, 0.04, 0.352941176471], [0.16, 0.04, 0.352941176471], [0.2, 0.04, 0.352941176471], [0.24, 0.04, 0.352941176471], [0.28, 0.04, 0.352941176471], [0.32, 0.04, 0.352941176471], [0.36, 0.04, 0.352941176471], [0.4, 0.04, 0.352941176471], [0.44, 0.04, 0.352941176471], [0.48, 0.04, 0.352941176471], [0.08, 0.08, 0.352941176471], [0.12, 0.08, 0.352941176471], [0.16, 0.08, 0.352941176471], [0.2, 0.08, 0.352941176471], [0.24, 0.08, 0.352941176471], [0.28, 0.08, 0.352941176471], [0.32, 0.08, 0.352941176471], [0.36, 0.08, 0.352941176471], [0.4, 0.08, 0.352941176471], [0.44, 0.08, 0.352941176471], [0.12, 0.12, 0.352941176471], [0.16, 0.12, 0.352941176471], [0.2, 0.12, 0.352941176471], [0.24, 0.12, 0.352941176471], [0.28, 0.12, 0.352941176471], [0.32, 0.12, 0.352941176471], [0.36, 0.12, 0.352941176471], [0.4, 0.12, 0.352941176471], [0.44, 0.12, 0.352941176471], [0.16, 0.16, 0.352941176471], [0.2, 0.16, 0.352941176471], [0.24, 0.16, 0.352941176471], [0.28, 0.16, 0.352941176471], [0.32, 0.16, 0.352941176471], [0.36, 0.16, 0.352941176471], [0.4, 0.16, 0.352941176471], [0.2, 0.2, 0.352941176471], [0.24, 0.2, 0.352941176471], [0.28, 0.2, 0.352941176471], [0.32, 0.2, 0.352941176471], [0.36, 0.2, 0.352941176471], [0.4, 0.2, 0.352941176471], [0.24, 0.24, 0.352941176471], [0.28, 0.24, 0.352941176471], [0.32, 0.24, 0.352941176471], [0.36, 0.24, 0.352941176471], [0.28, 0.28, 0.352941176471], [0.32, 0.28, 0.352941176471], [0.36, 0.28, 0.352941176471], [0.32, 0.32, 0.352941176471], [0.0, 0.0, 0.411764705882], [0.04, 0.0, 0.411764705882], [0.08, 0.0, 0.411764705882], [0.12, 0.0, 0.411764705882], [0.16, 0.0, 0.411764705882], [0.2, 0.0, 0.411764705882], [0.24, 0.0, 0.411764705882], [0.28, 0.0, 0.411764705882], [0.32, 0.0, 0.411764705882], [0.36, 0.0, 0.411764705882], [0.4, 0.0, 0.411764705882], [0.44, 0.0, 0.411764705882], [0.48, 0.0, 0.411764705882], [0.04, 0.04, 0.411764705882], [0.08, 0.04, 0.411764705882], [0.12, 0.04, 0.411764705882], [0.16, 0.04, 0.411764705882], [0.2, 0.04, 0.411764705882], [0.24, 0.04, 0.411764705882], [0.28, 0.04, 0.411764705882], [0.32, 0.04, 0.411764705882], [0.36, 0.04, 0.411764705882], [0.4, 0.04, 0.411764705882], [0.44, 0.04, 0.411764705882], [0.48, 0.04, 0.411764705882], [0.08, 0.08, 0.411764705882], [0.12, 0.08, 0.411764705882], [0.16, 0.08, 0.411764705882], [0.2, 0.08, 0.411764705882], [0.24, 0.08, 0.411764705882], [0.28, 0.08, 0.411764705882], [0.32, 0.08, 0.411764705882], [0.36, 0.08, 0.411764705882], [0.4, 0.08, 0.411764705882], [0.44, 0.08, 0.411764705882], [0.12, 0.12, 0.411764705882], [0.16, 0.12, 0.411764705882], [0.2, 0.12, 0.411764705882], [0.24, 0.12, 0.411764705882], [0.28, 0.12, 0.411764705882], [0.32, 0.12, 0.411764705882], [0.36, 0.12, 0.411764705882], [0.4, 0.12, 0.411764705882], [0.44, 0.12, 0.411764705882], [0.16, 0.16, 0.411764705882], [0.2, 0.16, 0.411764705882], [0.24, 0.16, 0.411764705882], [0.28, 0.16, 0.411764705882], [0.32, 0.16, 0.411764705882], [0.36, 0.16, 0.411764705882], [0.4, 0.16, 0.411764705882], [0.2, 0.2, 0.411764705882], [0.24, 0.2, 0.411764705882], [0.28, 0.2, 0.411764705882], [0.32, 0.2, 0.411764705882], [0.36, 0.2, 0.411764705882], [0.4, 0.2, 0.411764705882], [0.24, 0.24, 0.411764705882], [0.28, 0.24, 0.411764705882], [0.32, 0.24, 0.411764705882], [0.36, 0.24, 0.411764705882], [0.28, 0.28, 0.411764705882], [0.32, 0.28, 0.411764705882], [0.36, 0.28, 0.411764705882], [0.32, 0.32, 0.411764705882], [0.0, 0.0, 0.470588235294], [0.04, 0.0, 0.470588235294], [0.08, 0.0, 0.470588235294], [0.12, 0.0, 0.470588235294], [0.16, 0.0, 0.470588235294], [0.2, 0.0, 0.470588235294], [0.24, 0.0, 0.470588235294], [0.28, 0.0, 0.470588235294], [0.32, 0.0, 0.470588235294], [0.36, 0.0, 0.470588235294], [0.4, 0.0, 0.470588235294], [0.44, 0.0, 0.470588235294], [0.48, 0.0, 0.470588235294], [0.04, 0.04, 0.470588235294], [0.08, 0.04, 0.470588235294], [0.12, 0.04, 0.470588235294], [0.16, 0.04, 0.470588235294], [0.2, 0.04, 0.470588235294], [0.24, 0.04, 0.470588235294], [0.28, 0.04, 0.470588235294], [0.32, 0.04, 0.470588235294], [0.36, 0.04, 0.470588235294], [0.4, 0.04, 0.470588235294], [0.44, 0.04, 0.470588235294], [0.48, 0.04, 0.470588235294], [0.08, 0.08, 0.470588235294], [0.12, 0.08, 0.470588235294], [0.16, 0.08, 0.470588235294], [0.2, 0.08, 0.470588235294], [0.24, 0.08, 0.470588235294], [0.28, 0.08, 0.470588235294], [0.32, 0.08, 0.470588235294], [0.36, 0.08, 0.470588235294], [0.4, 0.08, 0.470588235294], [0.44, 0.08, 0.470588235294], [0.12, 0.12, 0.470588235294], [0.16, 0.12, 0.470588235294], [0.2, 0.12, 0.470588235294], [0.24, 0.12, 0.470588235294], [0.28, 0.12, 0.470588235294], [0.32, 0.12, 0.470588235294], [0.36, 0.12, 0.470588235294], [0.4, 0.12, 0.470588235294], [0.44, 0.12, 0.470588235294], [0.16, 0.16, 0.470588235294], [0.2, 0.16, 0.470588235294], [0.24, 0.16, 0.470588235294], [0.28, 0.16, 0.470588235294], [0.32, 0.16, 0.470588235294], [0.36, 0.16, 0.470588235294], [0.4, 0.16, 0.470588235294], [0.2, 0.2, 0.470588235294], [0.24, 0.2, 0.470588235294], [0.28, 0.2, 0.470588235294], [0.32, 0.2, 0.470588235294], [0.36, 0.2, 0.470588235294], [0.4, 0.2, 0.470588235294], [0.24, 0.24, 0.470588235294], [0.28, 0.24, 0.470588235294], [0.32, 0.24, 0.470588235294], [0.36, 0.24, 0.470588235294], [0.28, 0.28, 0.470588235294], [0.32, 0.28, 0.470588235294], [0.36, 0.28, 0.470588235294], [0.32, 0.32, 0.470588235294]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 6.0, 6.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li2"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"incar": {"ISIF": 3, "IBRION": 2, "NSW": 200, "NELM": 100, "ISPIN": 2, "ALGO": "Fast", "SYSTEM": "Rubyvaspy :: li", "ENCUT": 520, "LREAL": "Auto", "EDIFF": 2e-06, "PREC": "Accurate", "NELMIN": 3, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": true, "ICHARG": 1, "NPAR": 1, "MAGMOM": [0.6, 0.6], "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[3.086, 0.0, 0.0], [-1.543, 2.6725543961, 0.0], [0.0, 0.0, 4.828]], "a": 3.086, "b": 3.086000000018379, "c": 4.828, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999999980301, "volume": 39.81894383880829}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.3333333333, 0.6666666667, 0.25], "xyz": [-1.543001282300338e-10, 1.7817029308224182, 1.207], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.6666666667, 0.3333333333, 0.75], "xyz": [1.5430000001542998, 0.8908514652775814, 3.6210000000000004], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Poscar v1.1 :: 1 :: Li"}}}, "magnetism": {"total_magnetization": -0.0022141}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {"magmom": -0.0}}]}, "nsites": 2, "elements": ["Li"], "nelements": 1, "composition": {"Li": 2.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 40.379672154172624, "density": 0.5708714737768856, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555db"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 05:28:44.295000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2015-09-17 16:41:59"}, "task_ids": ["mp-976411", "mp-976511", "mp-976642", "mp-1398010", "mp-976543"], "deprecated_tasks": [], "task_id": "mp-976411", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-976543", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-09-17 19:05:29"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-976543", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-09-17 19:05:29"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1398010", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 05:28:44.295000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1398010", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 05:28:44.295000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1398010", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 05:28:44.295000"}}], "task_types": {"mp-976411": "GGA Structure Optimization", "mp-976543": "GGA NSCF Uniform", "mp-976511": "GGA Static", "mp-976642": "GGA NSCF Line", "mp-1398010": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-976642", "cbm": null, "dos_task": "mp-976543", "efermi": -0.23989549, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-976543", "vbm": null}, "energy": -7.62450131, "energy_per_atom": -1.9061253275, "entries": {"gga": {"composition": {"Li": 4.0}, "energy": -7.62450131, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1398010"}, "entry_id": "mp-976411"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.8865431064160001, 7.3690222499999996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.8865431064160001, 2.45634075], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "incar": {"ALGO": "Normal", "EDIFF": 4e-06, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 20, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 235, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0138888888889, 0.0, 0.0], [0.0277777777778, 0.0, 0.0], [0.0416666666667, 0.0, 0.0], [0.0555555555556, 0.0, 0.0], [0.0694444444444, 0.0, 0.0], [0.0833333333333, 0.0, 0.0], [0.0972222222222, 0.0, 0.0], [0.111111111111, 0.0, 0.0], [0.125, 0.0, 0.0], [0.138888888889, 0.0, 0.0], [0.152777777778, 0.0, 0.0], [0.166666666667, 0.0, 0.0], [0.180555555556, 0.0, 0.0], [0.194444444444, 0.0, 0.0], [0.208333333333, 0.0, 0.0], [0.222222222222, 0.0, 0.0], [0.236111111111, 0.0, 0.0], [0.25, 0.0, 0.0], [0.263888888889, 0.0, 0.0], [0.277777777778, 0.0, 0.0], [0.291666666667, 2.77555756156e-17, 0.0], [0.305555555556, 0.0, 0.0], [0.319444444444, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.347222222222, 0.0, 0.0], [0.361111111111, 0.0, 0.0], [0.375, 2.77555756156e-17, 0.0], [0.388888888889, 0.0, 0.0], [0.402777777778, -2.77555756156e-17, 0.0], [0.416666666667, 0.0, 0.0], [0.430555555556, 0.0, 0.0], [0.444444444444, 0.0, 0.0], [0.458333333333, 0.0, 0.0], [0.472222222222, 0.0, 0.0], [0.486111111111, 0.0, 0.0], [0.5, 0.0, 0.0], [0.5, 0.0, 0.0], [0.492063492063, 0.015873015873, 0.0], [0.484126984127, 0.031746031746, 0.0], [0.47619047619, 0.047619047619, 0.0], [0.468253968254, 0.0634920634921, 0.0], [0.460317460317, 0.0793650793651, 0.0], [0.452380952381, 0.0952380952381, 0.0], [0.444444444444, 0.111111111111, 0.0], [0.436507936508, 0.126984126984, 0.0], [0.428571428571, 0.142857142857, 0.0], [0.420634920635, 0.15873015873, 0.0], [0.412698412698, 0.174603174603, 0.0], [0.404761904762, 0.190476190476, 0.0], [0.396825396825, 0.206349206349, 0.0], [0.388888888889, 0.222222222222, 0.0], [0.380952380952, 0.238095238095, 0.0], [0.373015873016, 0.253968253968, 0.0], [0.365079365079, 0.269841269841, 0.0], [0.357142857143, 0.285714285714, 0.0], [0.349206349206, 0.301587301587, 0.0], [0.34126984127, 0.31746031746, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.325203252033, 0.325203252033, 0.0], [0.317073170732, 0.317073170732, 0.0], [0.308943089431, 0.308943089431, 0.0], [0.30081300813, 0.30081300813, 0.0], [0.292682926829, 0.292682926829, 0.0], [0.284552845528, 0.284552845528, 0.0], [0.276422764228, 0.276422764228, 0.0], [0.268292682927, 0.268292682927, 0.0], [0.260162601626, 0.260162601626, 0.0], [0.252032520325, 0.252032520325, 0.0], [0.243902439024, 0.243902439024, 0.0], [0.235772357724, 0.235772357724, 0.0], [0.227642276423, 0.227642276423, 0.0], [0.219512195122, 0.219512195122, 0.0], [0.211382113821, 0.211382113821, 0.0], [0.20325203252, 0.20325203252, 0.0], [0.19512195122, 0.19512195122, 0.0], [0.186991869919, 0.186991869919, 0.0], [0.178861788618, 0.178861788618, 0.0], [0.170731707317, 0.170731707317, 0.0], [0.162601626016, 0.162601626016, 0.0], [0.154471544715, 0.154471544715, 0.0], [0.146341463415, 0.146341463415, 0.0], [0.138211382114, 0.138211382114, 0.0], [0.130081300813, 0.130081300813, 0.0], [0.121951219512, 0.121951219512, 0.0], [0.113821138211, 0.113821138211, 0.0], [0.105691056911, 0.105691056911, 0.0], [0.0975609756098, 0.0975609756098, 0.0], [0.0894308943089, 0.0894308943089, 0.0], [0.0813008130081, 0.0813008130081, 0.0], [0.0731707317073, 0.0731707317073, 0.0], [0.0650406504065, 0.0650406504065, 0.0], [0.0569105691057, 0.0569105691057, 0.0], [0.0487804878049, 0.0487804878049, 0.0], [0.0406504065041, 0.0406504065041, 0.0], [0.0325203252033, 0.0325203252033, 0.0], [0.0243902439024, 0.0243902439024, 0.0], [0.0162601626016, 0.0162601626016, 0.0], [0.00813008130081, 0.00813008130081, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.05], [0.0, 0.0, 0.1], [0.0, 0.0, 0.15], [0.0, 0.0, 0.2], [0.0, 0.0, 0.25], [0.0, 0.0, 0.3], [0.0, 0.0, 0.35], [0.0, 0.0, 0.4], [0.0, 0.0, 0.45], [0.0, 0.0, 0.5], [0.0, 0.0, 0.5], [0.0138888888889, 0.0, 0.5], [0.0277777777778, 0.0, 0.5], [0.0416666666667, 0.0, 0.5], [0.0555555555556, 0.0, 0.5], [0.0694444444444, 0.0, 0.5], [0.0833333333333, 0.0, 0.5], [0.0972222222222, 0.0, 0.5], [0.111111111111, 0.0, 0.5], [0.125, 0.0, 0.5], [0.138888888889, 0.0, 0.5], [0.152777777778, 0.0, 0.5], [0.166666666667, 0.0, 0.5], [0.180555555556, 0.0, 0.5], [0.194444444444, 0.0, 0.5], [0.208333333333, 0.0, 0.5], [0.222222222222, 0.0, 0.5], [0.236111111111, 0.0, 0.5], [0.25, 0.0, 0.5], [0.263888888889, 0.0, 0.5], [0.277777777778, 0.0, 0.5], [0.291666666667, 2.77555756156e-17, 0.5], [0.305555555556, 0.0, 0.5], [0.319444444444, 0.0, 0.5], [0.333333333333, 0.0, 0.5], [0.347222222222, 0.0, 0.5], [0.361111111111, 0.0, 0.5], [0.375, 2.77555756156e-17, 0.5], [0.388888888889, 0.0, 0.5], [0.402777777778, -2.77555756156e-17, 0.5], [0.416666666667, 0.0, 0.5], [0.430555555556, 0.0, 0.5], [0.444444444444, 0.0, 0.5], [0.458333333333, 0.0, 0.5], [0.472222222222, 0.0, 0.5], [0.486111111111, 0.0, 0.5], [0.5, 0.0, 0.5], [0.5, 0.0, 0.5], [0.492063492063, 0.015873015873, 0.5], [0.484126984127, 0.031746031746, 0.5], [0.47619047619, 0.047619047619, 0.5], [0.468253968254, 0.0634920634921, 0.5], [0.460317460317, 0.0793650793651, 0.5], [0.452380952381, 0.0952380952381, 0.5], [0.444444444444, 0.111111111111, 0.5], [0.436507936508, 0.126984126984, 0.5], [0.428571428571, 0.142857142857, 0.5], [0.420634920635, 0.15873015873, 0.5], [0.412698412698, 0.174603174603, 0.5], [0.404761904762, 0.190476190476, 0.5], [0.396825396825, 0.206349206349, 0.5], [0.388888888889, 0.222222222222, 0.5], [0.380952380952, 0.238095238095, 0.5], [0.373015873016, 0.253968253968, 0.5], [0.365079365079, 0.269841269841, 0.5], [0.357142857143, 0.285714285714, 0.5], [0.349206349206, 0.301587301587, 0.5], [0.34126984127, 0.31746031746, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.325203252033, 0.325203252033, 0.5], [0.317073170732, 0.317073170732, 0.5], [0.308943089431, 0.308943089431, 0.5], [0.30081300813, 0.30081300813, 0.5], [0.292682926829, 0.292682926829, 0.5], [0.284552845528, 0.284552845528, 0.5], [0.276422764228, 0.276422764228, 0.5], [0.268292682927, 0.268292682927, 0.5], [0.260162601626, 0.260162601626, 0.5], [0.252032520325, 0.252032520325, 0.5], [0.243902439024, 0.243902439024, 0.5], [0.235772357724, 0.235772357724, 0.5], [0.227642276423, 0.227642276423, 0.5], [0.219512195122, 0.219512195122, 0.5], [0.211382113821, 0.211382113821, 0.5], [0.20325203252, 0.20325203252, 0.5], [0.19512195122, 0.19512195122, 0.5], [0.186991869919, 0.186991869919, 0.5], [0.178861788618, 0.178861788618, 0.5], [0.170731707317, 0.170731707317, 0.5], [0.162601626016, 0.162601626016, 0.5], [0.154471544715, 0.154471544715, 0.5], [0.146341463415, 0.146341463415, 0.5], [0.138211382114, 0.138211382114, 0.5], [0.130081300813, 0.130081300813, 0.5], [0.121951219512, 0.121951219512, 0.5], [0.113821138211, 0.113821138211, 0.5], [0.105691056911, 0.105691056911, 0.5], [0.0975609756098, 0.0975609756098, 0.5], [0.0894308943089, 0.0894308943089, 0.5], [0.0813008130081, 0.0813008130081, 0.5], [0.0731707317073, 0.0731707317073, 0.5], [0.0650406504065, 0.0650406504065, 0.5], [0.0569105691057, 0.0569105691057, 0.5], [0.0487804878049, 0.0487804878049, 0.5], [0.0406504065041, 0.0406504065041, 0.5], [0.0325203252033, 0.0325203252033, 0.5], [0.0243902439024, 0.0243902439024, 0.5], [0.0162601626016, 0.0162601626016, 0.5], [0.00813008130081, 0.00813008130081, 0.5], [0.0, 0.0, 0.5], [0.5, 0.0, 0.5], [0.5, 0.0, 0.45], [0.5, 0.0, 0.4], [0.5, 0.0, 0.35], [0.5, 0.0, 0.3], [0.5, 0.0, 0.25], [0.5, 0.0, 0.2], [0.5, 0.0, 0.15], [0.5, 0.0, 0.1], [0.5, 0.0, 0.05], [0.5, 0.0, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.05], [0.333333333333, 0.333333333333, 0.1], [0.333333333333, 0.333333333333, 0.15], [0.333333333333, 0.333333333333, 0.2], [0.333333333333, 0.333333333333, 0.25], [0.333333333333, 0.333333333333, 0.3], [0.333333333333, 0.333333333333, 0.35], [0.333333333333, 0.333333333333, 0.4], [0.333333333333, 0.333333333333, 0.45], [0.333333333333, 0.333333333333, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, "A", "A", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "A", "L", null, null, null, null, null, null, null, null, null, "M", "K", null, null, null, null, null, null, null, null, null, "H"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.8865431064160001, 7.3690222499999996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.8865431064160001, 2.45634075], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "incar": {"ALGO": "Normal", "EDIFF": 4e-06, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 15, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 325, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.04, 0.0, 0.0], [0.08, 0.0, 0.0], [0.12, 0.0, 0.0], [0.16, 0.0, 0.0], [0.2, 0.0, 0.0], [0.24, 0.0, 0.0], [0.28, 0.0, 0.0], [0.32, 0.0, 0.0], [0.36, 0.0, 0.0], [0.4, 0.0, 0.0], [0.44, 0.0, 0.0], [0.48, 0.0, 0.0], [0.04, 0.04, 0.0], [0.08, 0.04, 0.0], [0.12, 0.04, 0.0], [0.16, 0.04, 0.0], [0.2, 0.04, 0.0], [0.24, 0.04, 0.0], [0.28, 0.04, 0.0], [0.32, 0.04, 0.0], [0.36, 0.04, 0.0], [0.4, 0.04, 0.0], [0.44, 0.04, 0.0], [0.48, 0.04, 0.0], [0.08, 0.08, 0.0], [0.12, 0.08, 0.0], [0.16, 0.08, 0.0], [0.2, 0.08, 0.0], [0.24, 0.08, 0.0], [0.28, 0.08, 0.0], [0.32, 0.08, 0.0], [0.36, 0.08, 0.0], [0.4, 0.08, 0.0], [0.44, 0.08, 0.0], [0.12, 0.12, 0.0], [0.16, 0.12, 0.0], [0.2, 0.12, 0.0], [0.24, 0.12, 0.0], [0.28, 0.12, 0.0], [0.32, 0.12, 0.0], [0.36, 0.12, 0.0], [0.4, 0.12, 0.0], [0.44, 0.12, 0.0], [0.16, 0.16, 0.0], [0.2, 0.16, 0.0], [0.24, 0.16, 0.0], [0.28, 0.16, 0.0], [0.32, 0.16, 0.0], [0.36, 0.16, 0.0], [0.4, 0.16, 0.0], [0.2, 0.2, 0.0], [0.24, 0.2, 0.0], [0.28, 0.2, 0.0], [0.32, 0.2, 0.0], [0.36, 0.2, 0.0], [0.4, 0.2, 0.0], [0.24, 0.24, 0.0], [0.28, 0.24, 0.0], [0.32, 0.24, 0.0], [0.36, 0.24, 0.0], [0.28, 0.28, 0.0], [0.32, 0.28, 0.0], [0.36, 0.28, 0.0], [0.32, 0.32, 0.0], [0.0, 0.0, 0.125], [0.04, 0.0, 0.125], [0.08, 0.0, 0.125], [0.12, 0.0, 0.125], [0.16, 0.0, 0.125], [0.2, 0.0, 0.125], [0.24, 0.0, 0.125], [0.28, 0.0, 0.125], [0.32, 0.0, 0.125], [0.36, 0.0, 0.125], [0.4, 0.0, 0.125], [0.44, 0.0, 0.125], [0.48, 0.0, 0.125], [0.04, 0.04, 0.125], [0.08, 0.04, 0.125], [0.12, 0.04, 0.125], [0.16, 0.04, 0.125], [0.2, 0.04, 0.125], [0.24, 0.04, 0.125], [0.28, 0.04, 0.125], [0.32, 0.04, 0.125], [0.36, 0.04, 0.125], [0.4, 0.04, 0.125], [0.44, 0.04, 0.125], [0.48, 0.04, 0.125], [0.08, 0.08, 0.125], [0.12, 0.08, 0.125], [0.16, 0.08, 0.125], [0.2, 0.08, 0.125], [0.24, 0.08, 0.125], [0.28, 0.08, 0.125], [0.32, 0.08, 0.125], [0.36, 0.08, 0.125], [0.4, 0.08, 0.125], [0.44, 0.08, 0.125], [0.12, 0.12, 0.125], [0.16, 0.12, 0.125], [0.2, 0.12, 0.125], [0.24, 0.12, 0.125], [0.28, 0.12, 0.125], [0.32, 0.12, 0.125], [0.36, 0.12, 0.125], [0.4, 0.12, 0.125], [0.44, 0.12, 0.125], [0.16, 0.16, 0.125], [0.2, 0.16, 0.125], [0.24, 0.16, 0.125], [0.28, 0.16, 0.125], [0.32, 0.16, 0.125], [0.36, 0.16, 0.125], [0.4, 0.16, 0.125], [0.2, 0.2, 0.125], [0.24, 0.2, 0.125], [0.28, 0.2, 0.125], [0.32, 0.2, 0.125], [0.36, 0.2, 0.125], [0.4, 0.2, 0.125], [0.24, 0.24, 0.125], [0.28, 0.24, 0.125], [0.32, 0.24, 0.125], [0.36, 0.24, 0.125], [0.28, 0.28, 0.125], [0.32, 0.28, 0.125], [0.36, 0.28, 0.125], [0.32, 0.32, 0.125], [0.0, 0.0, 0.25], [0.04, 0.0, 0.25], [0.08, 0.0, 0.25], [0.12, 0.0, 0.25], [0.16, 0.0, 0.25], [0.2, 0.0, 0.25], [0.24, 0.0, 0.25], [0.28, 0.0, 0.25], [0.32, 0.0, 0.25], [0.36, 0.0, 0.25], [0.4, 0.0, 0.25], [0.44, 0.0, 0.25], [0.48, 0.0, 0.25], [0.04, 0.04, 0.25], [0.08, 0.04, 0.25], [0.12, 0.04, 0.25], [0.16, 0.04, 0.25], [0.2, 0.04, 0.25], [0.24, 0.04, 0.25], [0.28, 0.04, 0.25], [0.32, 0.04, 0.25], [0.36, 0.04, 0.25], [0.4, 0.04, 0.25], [0.44, 0.04, 0.25], [0.48, 0.04, 0.25], [0.08, 0.08, 0.25], [0.12, 0.08, 0.25], [0.16, 0.08, 0.25], [0.2, 0.08, 0.25], [0.24, 0.08, 0.25], [0.28, 0.08, 0.25], [0.32, 0.08, 0.25], [0.36, 0.08, 0.25], [0.4, 0.08, 0.25], [0.44, 0.08, 0.25], [0.12, 0.12, 0.25], [0.16, 0.12, 0.25], [0.2, 0.12, 0.25], [0.24, 0.12, 0.25], [0.28, 0.12, 0.25], [0.32, 0.12, 0.25], [0.36, 0.12, 0.25], [0.4, 0.12, 0.25], [0.44, 0.12, 0.25], [0.16, 0.16, 0.25], [0.2, 0.16, 0.25], [0.24, 0.16, 0.25], [0.28, 0.16, 0.25], [0.32, 0.16, 0.25], [0.36, 0.16, 0.25], [0.4, 0.16, 0.25], [0.2, 0.2, 0.25], [0.24, 0.2, 0.25], [0.28, 0.2, 0.25], [0.32, 0.2, 0.25], [0.36, 0.2, 0.25], [0.4, 0.2, 0.25], [0.24, 0.24, 0.25], [0.28, 0.24, 0.25], [0.32, 0.24, 0.25], [0.36, 0.24, 0.25], [0.28, 0.28, 0.25], [0.32, 0.28, 0.25], [0.36, 0.28, 0.25], [0.32, 0.32, 0.25], [0.0, 0.0, 0.375], [0.04, 0.0, 0.375], [0.08, 0.0, 0.375], [0.12, 0.0, 0.375], [0.16, 0.0, 0.375], [0.2, 0.0, 0.375], [0.24, 0.0, 0.375], [0.28, 0.0, 0.375], [0.32, 0.0, 0.375], [0.36, 0.0, 0.375], [0.4, 0.0, 0.375], [0.44, 0.0, 0.375], [0.48, 0.0, 0.375], [0.04, 0.04, 0.375], [0.08, 0.04, 0.375], [0.12, 0.04, 0.375], [0.16, 0.04, 0.375], [0.2, 0.04, 0.375], [0.24, 0.04, 0.375], [0.28, 0.04, 0.375], [0.32, 0.04, 0.375], [0.36, 0.04, 0.375], [0.4, 0.04, 0.375], [0.44, 0.04, 0.375], [0.48, 0.04, 0.375], [0.08, 0.08, 0.375], [0.12, 0.08, 0.375], [0.16, 0.08, 0.375], [0.2, 0.08, 0.375], [0.24, 0.08, 0.375], [0.28, 0.08, 0.375], [0.32, 0.08, 0.375], [0.36, 0.08, 0.375], [0.4, 0.08, 0.375], [0.44, 0.08, 0.375], [0.12, 0.12, 0.375], [0.16, 0.12, 0.375], [0.2, 0.12, 0.375], [0.24, 0.12, 0.375], [0.28, 0.12, 0.375], [0.32, 0.12, 0.375], [0.36, 0.12, 0.375], [0.4, 0.12, 0.375], [0.44, 0.12, 0.375], [0.16, 0.16, 0.375], [0.2, 0.16, 0.375], [0.24, 0.16, 0.375], [0.28, 0.16, 0.375], [0.32, 0.16, 0.375], [0.36, 0.16, 0.375], [0.4, 0.16, 0.375], [0.2, 0.2, 0.375], [0.24, 0.2, 0.375], [0.28, 0.2, 0.375], [0.32, 0.2, 0.375], [0.36, 0.2, 0.375], [0.4, 0.2, 0.375], [0.24, 0.24, 0.375], [0.28, 0.24, 0.375], [0.32, 0.24, 0.375], [0.36, 0.24, 0.375], [0.28, 0.28, 0.375], [0.32, 0.28, 0.375], [0.36, 0.28, 0.375], [0.32, 0.32, 0.375], [0.0, 0.0, 0.5], [0.04, 0.0, 0.5], [0.08, 0.0, 0.5], [0.12, 0.0, 0.5], [0.16, 0.0, 0.5], [0.2, 0.0, 0.5], [0.24, 0.0, 0.5], [0.28, 0.0, 0.5], [0.32, 0.0, 0.5], [0.36, 0.0, 0.5], [0.4, 0.0, 0.5], [0.44, 0.0, 0.5], [0.48, 0.0, 0.5], [0.04, 0.04, 0.5], [0.08, 0.04, 0.5], [0.12, 0.04, 0.5], [0.16, 0.04, 0.5], [0.2, 0.04, 0.5], [0.24, 0.04, 0.5], [0.28, 0.04, 0.5], [0.32, 0.04, 0.5], [0.36, 0.04, 0.5], [0.4, 0.04, 0.5], [0.44, 0.04, 0.5], [0.48, 0.04, 0.5], [0.08, 0.08, 0.5], [0.12, 0.08, 0.5], [0.16, 0.08, 0.5], [0.2, 0.08, 0.5], [0.24, 0.08, 0.5], [0.28, 0.08, 0.5], [0.32, 0.08, 0.5], [0.36, 0.08, 0.5], [0.4, 0.08, 0.5], [0.44, 0.08, 0.5], [0.12, 0.12, 0.5], [0.16, 0.12, 0.5], [0.2, 0.12, 0.5], [0.24, 0.12, 0.5], [0.28, 0.12, 0.5], [0.32, 0.12, 0.5], [0.36, 0.12, 0.5], [0.4, 0.12, 0.5], [0.44, 0.12, 0.5], [0.16, 0.16, 0.5], [0.2, 0.16, 0.5], [0.24, 0.16, 0.5], [0.28, 0.16, 0.5], [0.32, 0.16, 0.5], [0.36, 0.16, 0.5], [0.4, 0.16, 0.5], [0.2, 0.2, 0.5], [0.24, 0.2, 0.5], [0.28, 0.2, 0.5], [0.32, 0.2, 0.5], [0.36, 0.2, 0.5], [0.4, 0.2, 0.5], [0.24, 0.24, 0.5], [0.28, 0.24, 0.5], [0.32, 0.24, 0.5], [0.36, 0.24, 0.5], [0.28, 0.28, 0.5], [0.32, 0.28, 0.5], [0.36, 0.28, 0.5], [0.32, 0.32, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 6.0, 6.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 2.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 12.0, 12.0, 1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 6.0, 6.0, 12.0, 12.0, 12.0, 6.0, 12.0, 6.0, 6.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0002, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 3]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.951352, 0.0, 0.0], [-1.475677, 2.555946, 0.0], [0.0, 0.0, 9.449851]], "a": 2.951352, "b": 2.9513526667013212, "c": 9.449851, "alpha": 90.0, "beta": 90.0, "gamma": 120.0000149440523, "volume": 71.2849164225199}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666665, 0.25], "xyz": [8.090110000802397e-07, 1.70395974009, 2.36246275], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.7249255], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666668, 0.333333, 0.75], "xyz": [1.4756800936950003, 0.851981148018, 7.08738825], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0002, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NPAR": 2, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 4]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": -0.0007189}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {"magmom": -0.0}}]}, "nsites": 4, "elements": ["Li"], "nelements": 1, "composition": {"Li": 4.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 80.25252888718995, "density": 0.5744766743907439, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d86"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:42:25.851000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2019-01-11 23:42:10.637000"}, "task_ids": ["mp-1372063", "mp-1194030"], "deprecated_tasks": [], "task_id": "mp-1194030", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA Static", "task_id": "mp-1372063", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:42:25.851000"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA Static", "task_id": "mp-1372063", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:42:25.851000"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1372063", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:42:25.851000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1372063", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:42:25.851000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1372063", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:42:25.851000"}}], "task_types": {"mp-1194030": "GGA Structure Optimization", "mp-1372063": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "cbm": null, "efermi": 4.74538718, "is_gap_direct": false, "is_metal": true, "vbm": null}, "energy": -223.19091132, "energy_per_atom": -7.971103975714286, "entries": {"gga": {"composition": {"Fe": 28.0}, "energy": -223.19091132, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1372063"}, "entry_id": "mp-1194030"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {}}]}], "inputs": {"static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0014, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe28"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[3, 3, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-0.0, -0.0, 4.57163], [8.77481, -0.0, 0.0], [0.0, 8.77481, 0.0]], "a": 4.57163, "b": 8.77481, "c": 8.77481, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 352.0031233335509}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.097, 0.903], "xyz": [0.8511565700000001, 7.923653430000001, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.903, 0.097], "xyz": [7.923653430000001, 0.8511565700000001, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.403, 0.403], "xyz": [3.5362484300000006, 3.5362484300000006, 0.0], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [1.0, 0.597, 0.597], "xyz": [5.23856157, 5.23856157, 4.57163], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.3685, 0.9572], "xyz": [3.233517485, 8.399248132, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.6315, 0.0428], "xyz": [5.541292514999999, 0.375561868, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.1315, 0.4572], "xyz": [1.153887515, 4.011843132, 0.0], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.8685, 0.5428], "xyz": [7.620922485000001, 4.7629668679999995, 0.0], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.9572, 0.3685], "xyz": [8.399248132, 3.233517485, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.0428, 0.6315], "xyz": [0.375561868, 5.541292514999999, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.4572, 0.1315], "xyz": [4.011843132, 1.153887515, 0.0], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.5428, 0.8685], "xyz": [4.7629668679999995, 7.620922485000001, 0.0], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.434, 0.2366], "xyz": [3.80826754, 2.076120046, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.566, 0.7634], "xyz": [4.966542459999999, 6.698689954, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [1.0, 0.066, 0.7366], "xyz": [0.5791374600000001, 6.463525046000001, 4.57163], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.934, 0.2634], "xyz": [8.19567254, 2.3112849540000004, 0.0], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.2366, 0.434], "xyz": [2.076120046, 3.80826754, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.7634, 0.566], "xyz": [6.698689954, 4.966542459999999, 2.285815], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [1.0, 0.7366, 0.066], "xyz": [6.463525046000001, 0.5791374600000001, 4.57163], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.2634, 0.934], "xyz": [2.3112849540000004, 8.19567254, 0.0], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.2497, 0.3179, 0.6821], "xyz": [2.7895120990000004, 5.985297901000001, 1.141536011], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.2497, 0.6821, 0.3179], "xyz": [5.985297901000001, 2.7895120990000004, 1.141536011], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.7497, 0.1821, 0.1821], "xyz": [1.5978929010000003, 1.5978929010000003, 3.427351011], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.7497, 0.8179, 0.8179], "xyz": [7.176917099, 7.176917099, 3.427351011], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.7503, 0.6821, 0.3179], "xyz": [5.985297901000001, 2.7895120990000004, 3.430093989], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.7503, 0.3179, 0.6821], "xyz": [2.7895120990000004, 5.985297901000001, 3.430093989], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.2503, 0.8179, 0.8179], "xyz": [7.176917099, 7.176917099, 1.144278989], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.2503, 0.1821, 0.1821], "xyz": [1.5978929010000003, 1.5978929010000003, 1.144278989], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe28"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0014, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "KPAR": 8, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[5, 2, 2]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": 0.0736473}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {"magmom": 0.004}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {"magmom": 0.004}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {"magmom": 0.001}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {"magmom": 0.001}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {"magmom": 0.031}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {"magmom": 0.031}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {"magmom": 0.03}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {"magmom": 0.03}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {"magmom": 0.01}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {"magmom": 0.01}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {"magmom": -0.018}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {"magmom": -0.017}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {"magmom": -0.023}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {"magmom": -0.023}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {"magmom": -0.018}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {"magmom": -0.017}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {"magmom": -0.023}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {"magmom": -0.023}}]}, "nsites": 28, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 28.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 339.7378821106226, "density": 7.642711078186279, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P4_2/mnm", "number": 136, "point_group": "4/mmm", "crystal_system": "tetragonal", "hall": "-P 4n 2n"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d89"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 09:41:56.936000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-05-13 01:04:42"}, "task_ids": ["mp-1096950", "mp-1418926"], "deprecated_tasks": [], "task_id": "mp-1096950", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA Static", "task_id": "mp-1418926", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 09:41:56.936000"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA Static", "task_id": "mp-1418926", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 09:41:56.936000"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1418926", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 09:41:56.936000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1418926", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 09:41:56.936000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1418926", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 09:41:56.936000"}}], "task_types": {"mp-1096950": "GGA Structure Optimization", "mp-1418926": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "cbm": null, "efermi": 4.52150407, "is_gap_direct": false, "is_metal": true, "vbm": null}, "energy": -7.99321866, "energy_per_atom": -7.99321866, "entries": {"gga": {"composition": {"Fe": 1.0}, "energy": -7.99321866, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1418926"}, "entry_id": "mp-1096950"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}], "inputs": {"static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 0.0, -2.283072], [-1.522048, -2.636264, -0.0], [-1.522048, 2.636264, 0.0]], "a": 2.283072, "b": 3.0440955950823883, "c": 3.0440955950823883, "alpha": 119.99999119964099, "beta": 90.0, "gamma": 90.0, "volume": 18.321745714966564}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 8, 8]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Fast", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "KPAR": 8, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}}}, "magnetism": {"total_magnetization": 2.4749351}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.474}}]}, "nsites": 1, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 12.852844807258572, "density": 7.2149632302748765, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P6/mmm", "number": 191, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6 2"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d88"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-04-21 02:30:21.407000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:27:39.113000"}, "task_ids": ["mp-1271230", "mp-1271295", "mp-1271442", "mp-1271128"], "deprecated_tasks": [], "task_id": "mp-1271128", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA Static", "task_id": "mp-1271230", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:33:20.228000"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA Static", "task_id": "mp-1271230", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:33:20.228000"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1271230", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:33:20.228000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1271230", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:33:20.228000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1271230", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:33:20.228000"}}], "task_types": {"mp-1271128": "GGA Static", "mp-1271230": "GGA Static", "mp-1271295": "GGA Structure Optimization", "mp-1271442": "GGA Structure Optimization"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "cbm": null, "efermi": 5.92227194, "is_gap_direct": false, "is_metal": true, "vbm": null}, "energy": -16.74177322, "energy_per_atom": -8.37088661, "entries": {"gga": {"composition": {"Fe": 2.0}, "energy": -16.74177322, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1271230"}, "entry_id": "mp-1271128"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.325477, 0.0, -0.82218], [-1.162738, 2.013922, -0.82218], [1.162738, 2.013922, 3.288721]], "a": 2.4665407415911456, "b": 2.4665403769506797, "c": 4.027844000773739, "alpha": 89.99999115514228, "beta": 90.00000089825762, "gamma": 109.47121810510589, "volume": 23.103241085352963}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1627385, 2.013922, 0.8221804999999999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}], "inputs": {"static": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-1.645, 1.645], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [1.0, 1.0, 1.0], "xyz": [2.457739, 4.259867, 1.0658830000000001], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[12, 12, 8]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0001, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISYM": 0, "LASPH": true, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [-5.0, 5.0], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.325477, 0.0, -0.82218], [-1.162738, 2.013922, -0.82218], [1.162738, 2.013922, 3.288721]], "a": 2.4665407415911456, "b": 2.4665403769506797, "c": 4.027844000773739, "alpha": 89.99999115514228, "beta": 90.00000089825762, "gamma": 109.47121810510589, "volume": 23.103241085352963}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1627385, 2.013922, 0.8221804999999999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": 0.0002904}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {"magmom": -1.635}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.634}}]}, "nsites": 2, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 21.77395584881966, "density": 8.51777263926315, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "I4/mmm", "number": 139, "point_group": "4/mmm", "crystal_system": "tetragonal", "hall": "-I 4 2"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d8e"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 01:58:40.025000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-12 17:24:25"}, "task_ids": ["mp-1056378", "mp-1056193", "mp-1271172", "mp-1271691", "mp-1056133", "mp-1271306", "mp-1056320", "mp-1056141", "mp-1056127", "mp-1056170", "mp-13", "mp-1271183", "mp-919907", "mp-1056181", "mp-906002", "mp-1056155", "mp-1056343", "mp-1056162", "mp-1440893", "mp-1271677", "mp-1056145", "mp-1271110", "mp-1056154", "mp-1056335", "mp-1056352", "mp-918913", "mp-1056316", "mp-1056137", "mp-1056355", "mp-1056125", "mp-1056368"], "deprecated_tasks": [], "task_id": "mp-13", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-1056154", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:09:27"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-1056154", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:09:27"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1440893", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 01:58:40.025000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1440893", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 01:58:40.025000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1440893", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 01:58:40.025000"}}], "task_types": {"mp-918913": "GGA NSCF Uniform", "mp-919907": "GGA NSCF Line", "mp-906002": "GGA Static", "mp-13": "GGA Structure Optimization", "mp-1056125": "GGA Structure Optimization", "mp-1056127": "GGA Structure Optimization", "mp-1056133": "GGA Static", "mp-1056137": "GGA Static", "mp-1056141": "GGA NSCF Line", "mp-1056170": "GGA Static", "mp-1056145": "GGA NSCF Line", "mp-1056181": "GGA NSCF Line", "mp-1056154": "GGA NSCF Uniform", "mp-1056155": "GGA NSCF Uniform", "mp-1056162": "GGA Structure Optimization", "mp-1056335": "GGA NSCF Line", "mp-1056193": "GGA NSCF Uniform", "mp-1056368": "GGA NSCF Line", "mp-1056378": "GGA NSCF Uniform", "mp-1056316": "GGA Structure Optimization", "mp-1056320": "GGA Static", "mp-1056343": "GGA NSCF Uniform", "mp-1056352": "GGA Structure Optimization", "mp-1056355": "GGA Static", "mp-1271110": "GGA Static", "mp-1271172": "GGA Static", "mp-1271183": "GGA Static", "mp-1271677": "GGA Structure Optimization", "mp-1271306": "GGA Structure Optimization", "mp-1271691": "GGA Structure Optimization", "mp-1440893": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-1056141", "cbm": null, "dos_task": "mp-1056154", "efermi": 5.21855196, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-1056154", "vbm": null}, "energy": -8.46847481, "energy_per_atom": -8.46847481, "entries": {"gga": {"composition": {"Fe": 1.0}, "energy": -8.46847481, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1440893"}, "entry_id": "mp-13"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 15, "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 1037, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.00225225225225, -0.00225225225225, 0.00225225225225], [0.0045045045045, -0.0045045045045, 0.0045045045045], [0.00675675675676, -0.00675675675676, 0.00675675675676], [0.00900900900901, -0.00900900900901, 0.00900900900901], [0.0112612612613, -0.0112612612613, 0.0112612612613], [0.0135135135135, -0.0135135135135, 0.0135135135135], [0.0157657657658, -0.0157657657658, 0.0157657657658], [0.018018018018, -0.018018018018, 0.018018018018], [0.0202702702703, -0.0202702702703, 0.0202702702703], [0.0225225225225, -0.0225225225225, 0.0225225225225], [0.0247747747748, -0.0247747747748, 0.0247747747748], [0.027027027027, -0.027027027027, 0.027027027027], [0.0292792792793, -0.0292792792793, 0.0292792792793], [0.0315315315315, -0.0315315315315, 0.0315315315315], [0.0337837837838, -0.0337837837838, 0.0337837837838], [0.036036036036, -0.036036036036, 0.036036036036], [0.0382882882883, -0.0382882882883, 0.0382882882883], [0.0405405405405, -0.0405405405405, 0.0405405405405], [0.0427927927928, -0.0427927927928, 0.0427927927928], [0.045045045045, -0.045045045045, 0.045045045045], [0.0472972972973, -0.0472972972973, 0.0472972972973], [0.0495495495495, -0.0495495495495, 0.0495495495495], [0.0518018018018, -0.0518018018018, 0.0518018018018], [0.0540540540541, -0.0540540540541, 0.0540540540541], [0.0563063063063, -0.0563063063063, 0.0563063063063], [0.0585585585586, -0.0585585585586, 0.0585585585586], [0.0608108108108, -0.0608108108108, 0.0608108108108], [0.0630630630631, -0.0630630630631, 0.0630630630631], [0.0653153153153, -0.0653153153153, 0.0653153153153], [0.0675675675676, -0.0675675675676, 0.0675675675676], [0.0698198198198, -0.0698198198198, 0.0698198198198], [0.0720720720721, -0.0720720720721, 0.0720720720721], [0.0743243243243, -0.0743243243243, 0.0743243243243], [0.0765765765766, -0.0765765765766, 0.0765765765766], [0.0788288288288, -0.0788288288288, 0.0788288288288], [0.0810810810811, -0.0810810810811, 0.0810810810811], [0.0833333333333, -0.0833333333333, 0.0833333333333], [0.0855855855856, -0.0855855855856, 0.0855855855856], [0.0878378378378, -0.0878378378378, 0.0878378378378], [0.0900900900901, -0.0900900900901, 0.0900900900901], [0.0923423423423, -0.0923423423423, 0.0923423423423], [0.0945945945946, -0.0945945945946, 0.0945945945946], [0.0968468468468, -0.0968468468468, 0.0968468468468], [0.0990990990991, -0.0990990990991, 0.0990990990991], [0.101351351351, -0.101351351351, 0.101351351351], [0.103603603604, -0.103603603604, 0.103603603604], [0.105855855856, -0.105855855856, 0.105855855856], [0.108108108108, -0.108108108108, 0.108108108108], [0.11036036036, -0.11036036036, 0.11036036036], [0.112612612613, -0.112612612613, 0.112612612613], [0.114864864865, -0.114864864865, 0.114864864865], [0.117117117117, -0.117117117117, 0.117117117117], [0.119369369369, -0.119369369369, 0.119369369369], [0.121621621622, -0.121621621622, 0.121621621622], [0.123873873874, -0.123873873874, 0.123873873874], [0.126126126126, -0.126126126126, 0.126126126126], [0.128378378378, -0.128378378378, 0.128378378378], [0.130630630631, -0.130630630631, 0.130630630631], [0.132882882883, -0.132882882883, 0.132882882883], [0.135135135135, -0.135135135135, 0.135135135135], [0.137387387387, -0.137387387387, 0.137387387387], [0.13963963964, -0.13963963964, 0.13963963964], [0.141891891892, -0.141891891892, 0.141891891892], [0.144144144144, -0.144144144144, 0.144144144144], [0.146396396396, -0.146396396396, 0.146396396396], [0.148648648649, -0.148648648649, 0.148648648649], [0.150900900901, -0.150900900901, 0.150900900901], [0.153153153153, -0.153153153153, 0.153153153153], [0.155405405405, -0.155405405405, 0.155405405405], [0.157657657658, -0.157657657658, 0.157657657658], [0.15990990991, -0.15990990991, 0.15990990991], [0.162162162162, -0.162162162162, 0.162162162162], [0.164414414414, -0.164414414414, 0.164414414414], [0.166666666667, -0.166666666667, 0.166666666667], [0.168918918919, -0.168918918919, 0.168918918919], [0.171171171171, -0.171171171171, 0.171171171171], [0.173423423423, -0.173423423423, 0.173423423423], [0.175675675676, -0.175675675676, 0.175675675676], [0.177927927928, -0.177927927928, 0.177927927928], [0.18018018018, -0.18018018018, 0.18018018018], [0.182432432432, -0.182432432432, 0.182432432432], [0.184684684685, -0.184684684685, 0.184684684685], [0.186936936937, -0.186936936937, 0.186936936937], [0.189189189189, -0.189189189189, 0.189189189189], [0.191441441441, -0.191441441441, 0.191441441441], [0.193693693694, -0.193693693694, 0.193693693694], [0.195945945946, -0.195945945946, 0.195945945946], [0.198198198198, -0.198198198198, 0.198198198198], [0.20045045045, -0.20045045045, 0.20045045045], [0.202702702703, -0.202702702703, 0.202702702703], [0.204954954955, -0.204954954955, 0.204954954955], [0.207207207207, -0.207207207207, 0.207207207207], [0.209459459459, -0.209459459459, 0.209459459459], [0.211711711712, -0.211711711712, 0.211711711712], [0.213963963964, -0.213963963964, 0.213963963964], [0.216216216216, -0.216216216216, 0.216216216216], [0.218468468468, -0.218468468468, 0.218468468468], [0.220720720721, -0.220720720721, 0.220720720721], [0.222972972973, -0.222972972973, 0.222972972973], [0.225225225225, -0.225225225225, 0.225225225225], [0.227477477477, -0.227477477477, 0.227477477477], [0.22972972973, -0.22972972973, 0.22972972973], [0.231981981982, -0.231981981982, 0.231981981982], [0.234234234234, -0.234234234234, 0.234234234234], [0.236486486486, -0.236486486486, 0.236486486486], [0.238738738739, -0.238738738739, 0.238738738739], [0.240990990991, -0.240990990991, 0.240990990991], [0.243243243243, -0.243243243243, 0.243243243243], [0.245495495495, -0.245495495495, 0.245495495495], [0.247747747748, -0.247747747748, 0.247747747748], [0.25, -0.25, 0.25], [0.252252252252, -0.252252252252, 0.252252252252], [0.254504504505, -0.254504504505, 0.254504504505], [0.256756756757, -0.256756756757, 0.256756756757], [0.259009009009, -0.259009009009, 0.259009009009], [0.261261261261, -0.261261261261, 0.261261261261], [0.263513513514, -0.263513513514, 0.263513513514], [0.265765765766, -0.265765765766, 0.265765765766], [0.268018018018, -0.268018018018, 0.268018018018], [0.27027027027, -0.27027027027, 0.27027027027], [0.272522522523, -0.272522522523, 0.272522522523], [0.274774774775, -0.274774774775, 0.274774774775], [0.277027027027, -0.277027027027, 0.277027027027], [0.279279279279, -0.279279279279, 0.279279279279], [0.281531531532, -0.281531531532, 0.281531531532], [0.283783783784, -0.283783783784, 0.283783783784], [0.286036036036, -0.286036036036, 0.286036036036], [0.288288288288, -0.288288288288, 0.288288288288], [0.290540540541, -0.290540540541, 0.290540540541], [0.292792792793, -0.292792792793, 0.292792792793], [0.295045045045, -0.295045045045, 0.295045045045], [0.297297297297, -0.297297297297, 0.297297297297], [0.29954954955, -0.29954954955, 0.29954954955], [0.301801801802, -0.301801801802, 0.301801801802], [0.304054054054, -0.304054054054, 0.304054054054], [0.306306306306, -0.306306306306, 0.306306306306], [0.308558558559, -0.308558558559, 0.308558558559], [0.310810810811, -0.310810810811, 0.310810810811], [0.313063063063, -0.313063063063, 0.313063063063], [0.315315315315, -0.315315315315, 0.315315315315], [0.317567567568, -0.317567567568, 0.317567567568], [0.31981981982, -0.31981981982, 0.31981981982], [0.322072072072, -0.322072072072, 0.322072072072], [0.324324324324, -0.324324324324, 0.324324324324], [0.326576576577, -0.326576576577, 0.326576576577], [0.328828828829, -0.328828828829, 0.328828828829], [0.331081081081, -0.331081081081, 0.331081081081], [0.333333333333, -0.333333333333, 0.333333333333], [0.335585585586, -0.335585585586, 0.335585585586], [0.337837837838, -0.337837837838, 0.337837837838], [0.34009009009, -0.34009009009, 0.34009009009], [0.342342342342, -0.342342342342, 0.342342342342], [0.344594594595, -0.344594594595, 0.344594594595], [0.346846846847, -0.346846846847, 0.346846846847], [0.349099099099, -0.349099099099, 0.349099099099], [0.351351351351, -0.351351351351, 0.351351351351], [0.353603603604, -0.353603603604, 0.353603603604], [0.355855855856, -0.355855855856, 0.355855855856], [0.358108108108, -0.358108108108, 0.358108108108], [0.36036036036, -0.36036036036, 0.36036036036], [0.362612612613, -0.362612612613, 0.362612612613], [0.364864864865, -0.364864864865, 0.364864864865], [0.367117117117, -0.367117117117, 0.367117117117], [0.369369369369, -0.369369369369, 0.369369369369], [0.371621621622, -0.371621621622, 0.371621621622], [0.373873873874, -0.373873873874, 0.373873873874], [0.376126126126, -0.376126126126, 0.376126126126], [0.378378378378, -0.378378378378, 0.378378378378], [0.380630630631, -0.380630630631, 0.380630630631], [0.382882882883, -0.382882882883, 0.382882882883], [0.385135135135, -0.385135135135, 0.385135135135], [0.387387387387, -0.387387387387, 0.387387387387], [0.38963963964, -0.38963963964, 0.38963963964], [0.391891891892, -0.391891891892, 0.391891891892], [0.394144144144, -0.394144144144, 0.394144144144], [0.396396396396, -0.396396396396, 0.396396396396], [0.398648648649, -0.398648648649, 0.398648648649], [0.400900900901, -0.400900900901, 0.400900900901], [0.403153153153, -0.403153153153, 0.403153153153], [0.405405405405, -0.405405405405, 0.405405405405], [0.407657657658, -0.407657657658, 0.407657657658], [0.40990990991, -0.40990990991, 0.40990990991], [0.412162162162, -0.412162162162, 0.412162162162], [0.414414414414, -0.414414414414, 0.414414414414], [0.416666666667, -0.416666666667, 0.416666666667], [0.418918918919, -0.418918918919, 0.418918918919], [0.421171171171, -0.421171171171, 0.421171171171], [0.423423423423, -0.423423423423, 0.423423423423], [0.425675675676, -0.425675675676, 0.425675675676], [0.427927927928, -0.427927927928, 0.427927927928], [0.43018018018, -0.43018018018, 0.43018018018], [0.432432432432, -0.432432432432, 0.432432432432], [0.434684684685, -0.434684684685, 0.434684684685], [0.436936936937, -0.436936936937, 0.436936936937], [0.439189189189, -0.439189189189, 0.439189189189], [0.441441441441, -0.441441441441, 0.441441441441], [0.443693693694, -0.443693693694, 0.443693693694], [0.445945945946, -0.445945945946, 0.445945945946], [0.448198198198, -0.448198198198, 0.448198198198], [0.45045045045, -0.45045045045, 0.45045045045], [0.452702702703, -0.452702702703, 0.452702702703], [0.454954954955, -0.454954954955, 0.454954954955], [0.457207207207, -0.457207207207, 0.457207207207], [0.459459459459, -0.459459459459, 0.459459459459], [0.461711711712, -0.461711711712, 0.461711711712], [0.463963963964, -0.463963963964, 0.463963963964], [0.466216216216, -0.466216216216, 0.466216216216], [0.468468468468, -0.468468468468, 0.468468468468], [0.470720720721, -0.470720720721, 0.470720720721], [0.472972972973, -0.472972972973, 0.472972972973], [0.475225225225, -0.475225225225, 0.475225225225], [0.477477477477, -0.477477477477, 0.477477477477], [0.47972972973, -0.47972972973, 0.47972972973], [0.481981981982, -0.481981981982, 0.481981981982], [0.484234234234, -0.484234234234, 0.484234234234], [0.486486486486, -0.486486486486, 0.486486486486], [0.488738738739, -0.488738738739, 0.488738738739], [0.490990990991, -0.490990990991, 0.490990990991], [0.493243243243, -0.493243243243, 0.493243243243], [0.495495495495, -0.495495495495, 0.495495495495], [0.497747747748, -0.497747747748, 0.497747747748], [0.5, -0.5, 0.5], [0.5, -0.5, 0.5], [0.496815286624, -0.496815286624, 0.5], [0.493630573248, -0.493630573248, 0.5], [0.490445859873, -0.490445859873, 0.5], [0.487261146497, -0.487261146497, 0.5], [0.484076433121, -0.484076433121, 0.5], [0.480891719745, -0.480891719745, 0.5], [0.477707006369, -0.477707006369, 0.5], [0.474522292994, -0.474522292994, 0.5], [0.471337579618, -0.471337579618, 0.5], [0.468152866242, -0.468152866242, 0.5], [0.464968152866, -0.464968152866, 0.5], [0.46178343949, -0.46178343949, 0.5], [0.458598726115, -0.458598726115, 0.5], [0.455414012739, -0.455414012739, 0.5], [0.452229299363, -0.452229299363, 0.5], [0.449044585987, -0.449044585987, 0.5], [0.445859872611, -0.445859872611, 0.5], [0.442675159236, -0.442675159236, 0.5], [0.43949044586, -0.43949044586, 0.5], [0.436305732484, -0.436305732484, 0.5], [0.433121019108, -0.433121019108, 0.5], [0.429936305732, -0.429936305732, 0.5], [0.426751592357, -0.426751592357, 0.5], [0.423566878981, -0.423566878981, 0.5], [0.420382165605, -0.420382165605, 0.5], [0.417197452229, -0.417197452229, 0.5], [0.414012738854, -0.414012738854, 0.5], [0.410828025478, -0.410828025478, 0.5], [0.407643312102, -0.407643312102, 0.5], [0.404458598726, -0.404458598726, 0.5], [0.40127388535, -0.40127388535, 0.5], [0.398089171975, -0.398089171975, 0.5], [0.394904458599, -0.394904458599, 0.5], [0.391719745223, -0.391719745223, 0.5], [0.388535031847, -0.388535031847, 0.5], [0.385350318471, -0.385350318471, 0.5], [0.382165605096, -0.382165605096, 0.5], [0.37898089172, -0.37898089172, 0.5], [0.375796178344, -0.375796178344, 0.5], [0.372611464968, -0.372611464968, 0.5], [0.369426751592, -0.369426751592, 0.5], [0.366242038217, -0.366242038217, 0.5], [0.363057324841, -0.363057324841, 0.5], [0.359872611465, -0.359872611465, 0.5], [0.356687898089, -0.356687898089, 0.5], [0.353503184713, -0.353503184713, 0.5], [0.350318471338, -0.350318471338, 0.5], [0.347133757962, -0.347133757962, 0.5], [0.343949044586, -0.343949044586, 0.5], [0.34076433121, -0.34076433121, 0.5], [0.337579617834, -0.337579617834, 0.5], [0.334394904459, -0.334394904459, 0.5], [0.331210191083, -0.331210191083, 0.5], [0.328025477707, -0.328025477707, 0.5], [0.324840764331, -0.324840764331, 0.5], [0.321656050955, -0.321656050955, 0.5], [0.31847133758, -0.31847133758, 0.5], [0.315286624204, -0.315286624204, 0.5], [0.312101910828, -0.312101910828, 0.5], [0.308917197452, -0.308917197452, 0.5], [0.305732484076, -0.305732484076, 0.5], [0.302547770701, -0.302547770701, 0.5], [0.299363057325, -0.299363057325, 0.5], [0.296178343949, -0.296178343949, 0.5], [0.292993630573, -0.292993630573, 0.5], [0.289808917197, -0.289808917197, 0.5], [0.286624203822, -0.286624203822, 0.5], [0.283439490446, -0.283439490446, 0.5], [0.28025477707, -0.28025477707, 0.5], [0.277070063694, -0.277070063694, 0.5], [0.273885350318, -0.273885350318, 0.5], [0.270700636943, -0.270700636943, 0.5], [0.267515923567, -0.267515923567, 0.5], [0.264331210191, -0.264331210191, 0.5], [0.261146496815, -0.261146496815, 0.5], [0.257961783439, -0.257961783439, 0.5], [0.254777070064, -0.254777070064, 0.5], [0.251592356688, -0.251592356688, 0.5], [0.248407643312, -0.248407643312, 0.5], [0.245222929936, -0.245222929936, 0.5], [0.242038216561, -0.242038216561, 0.5], [0.238853503185, -0.238853503185, 0.5], [0.235668789809, -0.235668789809, 0.5], [0.232484076433, -0.232484076433, 0.5], [0.229299363057, -0.229299363057, 0.5], [0.226114649682, -0.226114649682, 0.5], [0.222929936306, -0.222929936306, 0.5], [0.21974522293, -0.21974522293, 0.5], [0.216560509554, -0.216560509554, 0.5], [0.213375796178, -0.213375796178, 0.5], [0.210191082803, -0.210191082803, 0.5], [0.207006369427, -0.207006369427, 0.5], [0.203821656051, -0.203821656051, 0.5], [0.200636942675, -0.200636942675, 0.5], [0.197452229299, -0.197452229299, 0.5], [0.194267515924, -0.194267515924, 0.5], [0.191082802548, -0.191082802548, 0.5], [0.187898089172, -0.187898089172, 0.5], [0.184713375796, -0.184713375796, 0.5], [0.18152866242, -0.18152866242, 0.5], [0.178343949045, -0.178343949045, 0.5], [0.175159235669, -0.175159235669, 0.5], [0.171974522293, -0.171974522293, 0.5], [0.168789808917, -0.168789808917, 0.5], [0.165605095541, -0.165605095541, 0.5], [0.162420382166, -0.162420382166, 0.5], [0.15923566879, -0.15923566879, 0.5], [0.156050955414, -0.156050955414, 0.5], [0.152866242038, -0.152866242038, 0.5], [0.149681528662, -0.149681528662, 0.5], [0.146496815287, -0.146496815287, 0.5], [0.143312101911, -0.143312101911, 0.5], [0.140127388535, -0.140127388535, 0.5], [0.136942675159, -0.136942675159, 0.5], [0.133757961783, -0.133757961783, 0.5], [0.130573248408, -0.130573248408, 0.5], [0.127388535032, -0.127388535032, 0.5], [0.124203821656, -0.124203821656, 0.5], [0.12101910828, -0.12101910828, 0.5], [0.117834394904, -0.117834394904, 0.5], [0.114649681529, -0.114649681529, 0.5], [0.111464968153, -0.111464968153, 0.5], [0.108280254777, -0.108280254777, 0.5], [0.105095541401, -0.105095541401, 0.5], [0.101910828025, -0.101910828025, 0.5], [0.0987261146497, -0.0987261146497, 0.5], [0.0955414012739, -0.0955414012739, 0.5], [0.0923566878981, -0.0923566878981, 0.5], [0.0891719745223, -0.0891719745223, 0.5], [0.0859872611465, -0.0859872611465, 0.5], [0.0828025477707, -0.0828025477707, 0.5], [0.0796178343949, -0.0796178343949, 0.5], [0.0764331210191, -0.0764331210191, 0.5], [0.0732484076433, -0.0732484076433, 0.5], [0.0700636942675, -0.0700636942675, 0.5], [0.0668789808917, -0.0668789808917, 0.5], [0.0636942675159, -0.0636942675159, 0.5], [0.0605095541401, -0.0605095541401, 0.5], [0.0573248407643, -0.0573248407643, 0.5], [0.0541401273885, -0.0541401273885, 0.5], [0.0509554140127, -0.0509554140127, 0.5], [0.0477707006369, -0.0477707006369, 0.5], [0.0445859872611, -0.0445859872611, 0.5], [0.0414012738854, -0.0414012738854, 0.5], [0.0382165605096, -0.0382165605096, 0.5], [0.0350318471338, -0.0350318471338, 0.5], [0.031847133758, -0.031847133758, 0.5], [0.0286624203822, -0.0286624203822, 0.5], [0.0254777070064, -0.0254777070064, 0.5], [0.0222929936306, -0.0222929936306, 0.5], [0.0191082802548, -0.0191082802548, 0.5], [0.015923566879, -0.015923566879, 0.5], [0.0127388535032, -0.0127388535032, 0.5], [0.00955414012739, -0.00955414012739, 0.5], [0.00636942675159, -0.00636942675159, 0.5], [0.0031847133758, -0.0031847133758, 0.5], [-2.77555756156e-17, 2.77555756156e-17, 0.5], [-2.77555756156e-17, 2.77555756156e-17, 0.5], [-2.77555756156e-17, 2.77555756156e-17, 0.496815286624], [0.0, 0.0, 0.493630573248], [-2.77555756156e-17, 2.77555756156e-17, 0.490445859873], [2.77555756156e-17, -2.77555756156e-17, 0.487261146497], [0.0, 0.0, 0.484076433121], [-2.77555756156e-17, 2.77555756156e-17, 0.480891719745], [-2.77555756156e-17, 2.77555756156e-17, 0.477707006369], [-2.77555756156e-17, 2.77555756156e-17, 0.474522292994], [0.0, 0.0, 0.471337579618], [-2.77555756156e-17, 2.77555756156e-17, 0.468152866242], [-2.77555756156e-17, 2.77555756156e-17, 0.464968152866], [-2.77555756156e-17, 2.77555756156e-17, 0.46178343949], [0.0, 0.0, 0.458598726115], [-2.77555756156e-17, 2.77555756156e-17, 0.455414012739], [-2.77555756156e-17, 2.77555756156e-17, 0.452229299363], [-2.77555756156e-17, 2.77555756156e-17, 0.449044585987], [0.0, 0.0, 0.445859872611], [0.0, 0.0, 0.442675159236], [-2.77555756156e-17, 2.77555756156e-17, 0.43949044586], [-2.77555756156e-17, 2.77555756156e-17, 0.436305732484], [0.0, 0.0, 0.433121019108], [-2.77555756156e-17, 2.77555756156e-17, 0.429936305732], [-2.77555756156e-17, 2.77555756156e-17, 0.426751592357], [-2.77555756156e-17, 2.77555756156e-17, 0.423566878981], [0.0, 0.0, 0.420382165605], [-2.77555756156e-17, 2.77555756156e-17, 0.417197452229], [-2.77555756156e-17, 2.77555756156e-17, 0.414012738854], [0.0, 0.0, 0.410828025478], [-2.77555756156e-17, 2.77555756156e-17, 0.407643312102], [-2.77555756156e-17, 2.77555756156e-17, 0.404458598726], [-2.77555756156e-17, 2.77555756156e-17, 0.40127388535], [-2.77555756156e-17, 2.77555756156e-17, 0.398089171975], [0.0, 0.0, 0.394904458599], [0.0, 0.0, 0.391719745223], [-2.77555756156e-17, 2.77555756156e-17, 0.388535031847], [0.0, 0.0, 0.385350318471], [-2.77555756156e-17, 2.77555756156e-17, 0.382165605096], [-2.77555756156e-17, 2.77555756156e-17, 0.37898089172], [-2.77555756156e-17, 2.77555756156e-17, 0.375796178344], [-2.77555756156e-17, 2.77555756156e-17, 0.372611464968], [0.0, 0.0, 0.369426751592], [2.77555756156e-17, -2.77555756156e-17, 0.366242038217], [0.0, 0.0, 0.363057324841], [-2.77555756156e-17, 2.77555756156e-17, 0.359872611465], [-2.77555756156e-17, 2.77555756156e-17, 0.356687898089], [-2.77555756156e-17, 2.77555756156e-17, 0.353503184713], [-2.77555756156e-17, 2.77555756156e-17, 0.350318471338], [0.0, 0.0, 0.347133757962], [0.0, 0.0, 0.343949044586], [0.0, 0.0, 0.34076433121], [-2.77555756156e-17, 2.77555756156e-17, 0.337579617834], [-2.77555756156e-17, 2.77555756156e-17, 0.334394904459], [-2.77555756156e-17, 2.77555756156e-17, 0.331210191083], [-2.77555756156e-17, 2.77555756156e-17, 0.328025477707], [-2.77555756156e-17, 2.77555756156e-17, 0.324840764331], [0.0, 0.0, 0.321656050955], [0.0, 0.0, 0.31847133758], [0.0, 0.0, 0.315286624204], [0.0, 0.0, 0.312101910828], [0.0, 0.0, 0.308917197452], [-2.77555756156e-17, 2.77555756156e-17, 0.305732484076], [-2.77555756156e-17, 2.77555756156e-17, 0.302547770701], [-2.77555756156e-17, 2.77555756156e-17, 0.299363057325], [0.0, 0.0, 0.296178343949], [0.0, 0.0, 0.292993630573], [0.0, 0.0, 0.289808917197], [0.0, 0.0, 0.286624203822], [0.0, 0.0, 0.283439490446], [-2.77555756156e-17, 2.77555756156e-17, 0.28025477707], [-5.55111512313e-17, 5.55111512313e-17, 0.277070063694], [0.0, 0.0, 0.273885350318], [0.0, 0.0, 0.270700636943], [-2.77555756156e-17, 2.77555756156e-17, 0.267515923567], [-2.77555756156e-17, 2.77555756156e-17, 0.264331210191], [0.0, 0.0, 0.261146496815], [0.0, 0.0, 0.257961783439], [-2.77555756156e-17, 2.77555756156e-17, 0.254777070064], [-2.77555756156e-17, 2.77555756156e-17, 0.251592356688], [-1.38777878078e-17, 1.38777878078e-17, 0.248407643312], [-1.38777878078e-17, 1.38777878078e-17, 0.245222929936], [0.0, 0.0, 0.242038216561], [-1.38777878078e-17, 1.38777878078e-17, 0.238853503185], [0.0, 0.0, 0.235668789809], [1.38777878078e-17, -1.38777878078e-17, 0.232484076433], [0.0, 0.0, 0.229299363057], [-1.38777878078e-17, 1.38777878078e-17, 0.226114649682], [0.0, 0.0, 0.222929936306], [-1.38777878078e-17, 1.38777878078e-17, 0.21974522293], [-1.38777878078e-17, 1.38777878078e-17, 0.216560509554], [-1.38777878078e-17, 1.38777878078e-17, 0.213375796178], [1.38777878078e-17, -1.38777878078e-17, 0.210191082803], [-1.38777878078e-17, 1.38777878078e-17, 0.207006369427], [-1.38777878078e-17, 1.38777878078e-17, 0.203821656051], [-1.38777878078e-17, 1.38777878078e-17, 0.200636942675], [1.38777878078e-17, -1.38777878078e-17, 0.197452229299], [-1.38777878078e-17, 1.38777878078e-17, 0.194267515924], [-1.38777878078e-17, 1.38777878078e-17, 0.191082802548], [-1.38777878078e-17, 1.38777878078e-17, 0.187898089172], [-1.38777878078e-17, 1.38777878078e-17, 0.184713375796], [-1.38777878078e-17, 1.38777878078e-17, 0.18152866242], [-1.38777878078e-17, 1.38777878078e-17, 0.178343949045], [0.0, 0.0, 0.175159235669], [-1.38777878078e-17, 1.38777878078e-17, 0.171974522293], [-1.38777878078e-17, 1.38777878078e-17, 0.168789808917], [-1.38777878078e-17, 1.38777878078e-17, 0.165605095541], [0.0, 0.0, 0.162420382166], [-1.38777878078e-17, 1.38777878078e-17, 0.15923566879], [-1.38777878078e-17, 1.38777878078e-17, 0.156050955414], [1.38777878078e-17, -1.38777878078e-17, 0.152866242038], [1.38777878078e-17, -1.38777878078e-17, 0.149681528662], [-1.38777878078e-17, 1.38777878078e-17, 0.146496815287], [-1.38777878078e-17, 1.38777878078e-17, 0.143312101911], [0.0, 0.0, 0.140127388535], [-1.38777878078e-17, 1.38777878078e-17, 0.136942675159], [-2.77555756156e-17, 2.77555756156e-17, 0.133757961783], [1.38777878078e-17, -1.38777878078e-17, 0.130573248408], [0.0, 0.0, 0.127388535032], [-2.08166817117e-17, 2.08166817117e-17, 0.124203821656], [-2.08166817117e-17, 2.08166817117e-17, 0.12101910828], [6.93889390391e-18, -6.93889390391e-18, 0.117834394904], [6.93889390391e-18, -6.93889390391e-18, 0.114649681529], [-1.38777878078e-17, 1.38777878078e-17, 0.111464968153], [-1.38777878078e-17, 1.38777878078e-17, 0.108280254777], [0.0, 0.0, 0.105095541401], [6.93889390391e-18, -6.93889390391e-18, 0.101910828025], [-1.38777878078e-17, 1.38777878078e-17, 0.0987261146497], [6.93889390391e-18, -6.93889390391e-18, 0.0955414012739], [6.93889390391e-18, -6.93889390391e-18, 0.0923566878981], [6.93889390391e-18, -6.93889390391e-18, 0.0891719745223], [-2.08166817117e-17, 2.08166817117e-17, 0.0859872611465], [6.93889390391e-18, -6.93889390391e-18, 0.0828025477707], [6.93889390391e-18, -6.93889390391e-18, 0.0796178343949], [-2.08166817117e-17, 2.08166817117e-17, 0.0764331210191], [6.93889390391e-18, -6.93889390391e-18, 0.0732484076433], [6.93889390391e-18, -6.93889390391e-18, 0.0700636942675], [6.93889390391e-18, -6.93889390391e-18, 0.0668789808917], [-2.08166817117e-17, 2.08166817117e-17, 0.0636942675159], [3.46944695195e-18, -3.46944695195e-18, 0.0605095541401], [3.46944695195e-18, -3.46944695195e-18, 0.0573248407643], [3.46944695195e-18, -3.46944695195e-18, 0.0541401273885], [-2.08166817117e-17, 2.08166817117e-17, 0.0509554140127], [3.46944695195e-18, -3.46944695195e-18, 0.0477707006369], [3.46944695195e-18, -3.46944695195e-18, 0.0445859872611], [0.0, 0.0, 0.0414012738854], [0.0, 0.0, 0.0382165605096], [-4.85722573274e-17, 4.85722573274e-17, 0.0350318471338], [3.46944695195e-18, -3.46944695195e-18, 0.031847133758], [1.73472347598e-18, -1.73472347598e-18, 0.0286624203822], [1.73472347598e-18, -1.73472347598e-18, 0.0254777070064], [1.73472347598e-18, -1.73472347598e-18, 0.0222929936306], [0.0, 0.0, 0.0191082802548], [0.0, 0.0, 0.015923566879], [8.67361737988e-19, -8.67361737988e-19, 0.0127388535032], [0.0, 0.0, 0.00955414012739], [4.33680868994e-19, -4.33680868994e-19, 0.00636942675159], [2.16840434497e-19, -2.16840434497e-19, 0.0031847133758], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.00130208333333, 0.00130208333333, 0.00130208333333], [0.00260416666667, 0.00260416666667, 0.00260416666667], [0.00390625, 0.00390625, 0.00390625], [0.00520833333333, 0.00520833333333, 0.00520833333333], [0.00651041666667, 0.00651041666667, 0.00651041666667], [0.0078125, 0.0078125, 0.0078125], [0.00911458333333, 0.00911458333333, 0.00911458333333], [0.0104166666667, 0.0104166666667, 0.0104166666667], [0.01171875, 0.01171875, 0.01171875], [0.0130208333333, 0.0130208333333, 0.0130208333333], [0.0143229166667, 0.0143229166667, 0.0143229166667], [0.015625, 0.015625, 0.015625], [0.0169270833333, 0.0169270833333, 0.0169270833333], [0.0182291666667, 0.0182291666667, 0.0182291666667], [0.01953125, 0.01953125, 0.01953125], [0.0208333333333, 0.0208333333333, 0.0208333333333], [0.0221354166667, 0.0221354166667, 0.0221354166667], [0.0234375, 0.0234375, 0.0234375], [0.0247395833333, 0.0247395833333, 0.0247395833333], [0.0260416666667, 0.0260416666667, 0.0260416666667], [0.02734375, 0.02734375, 0.02734375], [0.0286458333333, 0.0286458333333, 0.0286458333333], [0.0299479166667, 0.0299479166667, 0.0299479166667], [0.03125, 0.03125, 0.03125], [0.0325520833333, 0.0325520833333, 0.0325520833333], [0.0338541666667, 0.0338541666667, 0.0338541666667], [0.03515625, 0.03515625, 0.03515625], [0.0364583333333, 0.0364583333333, 0.0364583333333], [0.0377604166667, 0.0377604166667, 0.0377604166667], [0.0390625, 0.0390625, 0.0390625], [0.0403645833333, 0.0403645833333, 0.0403645833333], [0.0416666666667, 0.0416666666667, 0.0416666666667], [0.04296875, 0.04296875, 0.04296875], [0.0442708333333, 0.0442708333333, 0.0442708333333], [0.0455729166667, 0.0455729166667, 0.0455729166667], [0.046875, 0.046875, 0.046875], [0.0481770833333, 0.0481770833333, 0.0481770833333], [0.0494791666667, 0.0494791666667, 0.0494791666667], [0.05078125, 0.05078125, 0.05078125], [0.0520833333333, 0.0520833333333, 0.0520833333333], [0.0533854166667, 0.0533854166667, 0.0533854166667], [0.0546875, 0.0546875, 0.0546875], [0.0559895833333, 0.0559895833333, 0.0559895833333], [0.0572916666667, 0.0572916666667, 0.0572916666667], [0.05859375, 0.05859375, 0.05859375], [0.0598958333333, 0.0598958333333, 0.0598958333333], [0.0611979166667, 0.0611979166667, 0.0611979166667], [0.0625, 0.0625, 0.0625], [0.0638020833333, 0.0638020833333, 0.0638020833333], [0.0651041666667, 0.0651041666667, 0.0651041666667], [0.06640625, 0.06640625, 0.06640625], [0.0677083333333, 0.0677083333333, 0.0677083333333], [0.0690104166667, 0.0690104166667, 0.0690104166667], [0.0703125, 0.0703125, 0.0703125], [0.0716145833333, 0.0716145833333, 0.0716145833333], [0.0729166666667, 0.0729166666667, 0.0729166666667], [0.07421875, 0.07421875, 0.07421875], [0.0755208333333, 0.0755208333333, 0.0755208333333], [0.0768229166667, 0.0768229166667, 0.0768229166667], [0.078125, 0.078125, 0.078125], [0.0794270833333, 0.0794270833333, 0.0794270833333], [0.0807291666667, 0.0807291666667, 0.0807291666667], [0.08203125, 0.08203125, 0.08203125], [0.0833333333333, 0.0833333333333, 0.0833333333333], [0.0846354166667, 0.0846354166667, 0.0846354166667], [0.0859375, 0.0859375, 0.0859375], [0.0872395833333, 0.0872395833333, 0.0872395833333], [0.0885416666667, 0.0885416666667, 0.0885416666667], [0.08984375, 0.08984375, 0.08984375], [0.0911458333333, 0.0911458333333, 0.0911458333333], [0.0924479166667, 0.0924479166667, 0.0924479166667], [0.09375, 0.09375, 0.09375], [0.0950520833333, 0.0950520833333, 0.0950520833333], [0.0963541666667, 0.0963541666667, 0.0963541666667], [0.09765625, 0.09765625, 0.09765625], [0.0989583333333, 0.0989583333333, 0.0989583333333], [0.100260416667, 0.100260416667, 0.100260416667], [0.1015625, 0.1015625, 0.1015625], [0.102864583333, 0.102864583333, 0.102864583333], [0.104166666667, 0.104166666667, 0.104166666667], [0.10546875, 0.10546875, 0.10546875], [0.106770833333, 0.106770833333, 0.106770833333], [0.108072916667, 0.108072916667, 0.108072916667], [0.109375, 0.109375, 0.109375], [0.110677083333, 0.110677083333, 0.110677083333], [0.111979166667, 0.111979166667, 0.111979166667], [0.11328125, 0.11328125, 0.11328125], [0.114583333333, 0.114583333333, 0.114583333333], [0.115885416667, 0.115885416667, 0.115885416667], [0.1171875, 0.1171875, 0.1171875], [0.118489583333, 0.118489583333, 0.118489583333], [0.119791666667, 0.119791666667, 0.119791666667], [0.12109375, 0.12109375, 0.12109375], [0.122395833333, 0.122395833333, 0.122395833333], [0.123697916667, 0.123697916667, 0.123697916667], [0.125, 0.125, 0.125], [0.126302083333, 0.126302083333, 0.126302083333], [0.127604166667, 0.127604166667, 0.127604166667], [0.12890625, 0.12890625, 0.12890625], [0.130208333333, 0.130208333333, 0.130208333333], [0.131510416667, 0.131510416667, 0.131510416667], [0.1328125, 0.1328125, 0.1328125], [0.134114583333, 0.134114583333, 0.134114583333], [0.135416666667, 0.135416666667, 0.135416666667], [0.13671875, 0.13671875, 0.13671875], [0.138020833333, 0.138020833333, 0.138020833333], [0.139322916667, 0.139322916667, 0.139322916667], [0.140625, 0.140625, 0.140625], [0.141927083333, 0.141927083333, 0.141927083333], [0.143229166667, 0.143229166667, 0.143229166667], [0.14453125, 0.14453125, 0.14453125], [0.145833333333, 0.145833333333, 0.145833333333], [0.147135416667, 0.147135416667, 0.147135416667], [0.1484375, 0.1484375, 0.1484375], [0.149739583333, 0.149739583333, 0.149739583333], [0.151041666667, 0.151041666667, 0.151041666667], [0.15234375, 0.15234375, 0.15234375], [0.153645833333, 0.153645833333, 0.153645833333], [0.154947916667, 0.154947916667, 0.154947916667], [0.15625, 0.15625, 0.15625], [0.157552083333, 0.157552083333, 0.157552083333], [0.158854166667, 0.158854166667, 0.158854166667], [0.16015625, 0.16015625, 0.16015625], [0.161458333333, 0.161458333333, 0.161458333333], [0.162760416667, 0.162760416667, 0.162760416667], [0.1640625, 0.1640625, 0.1640625], [0.165364583333, 0.165364583333, 0.165364583333], [0.166666666667, 0.166666666667, 0.166666666667], [0.16796875, 0.16796875, 0.16796875], [0.169270833333, 0.169270833333, 0.169270833333], [0.170572916667, 0.170572916667, 0.170572916667], [0.171875, 0.171875, 0.171875], [0.173177083333, 0.173177083333, 0.173177083333], [0.174479166667, 0.174479166667, 0.174479166667], [0.17578125, 0.17578125, 0.17578125], [0.177083333333, 0.177083333333, 0.177083333333], [0.178385416667, 0.178385416667, 0.178385416667], [0.1796875, 0.1796875, 0.1796875], [0.180989583333, 0.180989583333, 0.180989583333], [0.182291666667, 0.182291666667, 0.182291666667], [0.18359375, 0.18359375, 0.18359375], [0.184895833333, 0.184895833333, 0.184895833333], [0.186197916667, 0.186197916667, 0.186197916667], [0.1875, 0.1875, 0.1875], [0.188802083333, 0.188802083333, 0.188802083333], [0.190104166667, 0.190104166667, 0.190104166667], [0.19140625, 0.19140625, 0.19140625], [0.192708333333, 0.192708333333, 0.192708333333], [0.194010416667, 0.194010416667, 0.194010416667], [0.1953125, 0.1953125, 0.1953125], [0.196614583333, 0.196614583333, 0.196614583333], [0.197916666667, 0.197916666667, 0.197916666667], [0.19921875, 0.19921875, 0.19921875], [0.200520833333, 0.200520833333, 0.200520833333], [0.201822916667, 0.201822916667, 0.201822916667], [0.203125, 0.203125, 0.203125], [0.204427083333, 0.204427083333, 0.204427083333], [0.205729166667, 0.205729166667, 0.205729166667], [0.20703125, 0.20703125, 0.20703125], [0.208333333333, 0.208333333333, 0.208333333333], [0.209635416667, 0.209635416667, 0.209635416667], [0.2109375, 0.2109375, 0.2109375], [0.212239583333, 0.212239583333, 0.212239583333], [0.213541666667, 0.213541666667, 0.213541666667], [0.21484375, 0.21484375, 0.21484375], [0.216145833333, 0.216145833333, 0.216145833333], [0.217447916667, 0.217447916667, 0.217447916667], [0.21875, 0.21875, 0.21875], [0.220052083333, 0.220052083333, 0.220052083333], [0.221354166667, 0.221354166667, 0.221354166667], [0.22265625, 0.22265625, 0.22265625], [0.223958333333, 0.223958333333, 0.223958333333], [0.225260416667, 0.225260416667, 0.225260416667], [0.2265625, 0.2265625, 0.2265625], [0.227864583333, 0.227864583333, 0.227864583333], [0.229166666667, 0.229166666667, 0.229166666667], [0.23046875, 0.23046875, 0.23046875], [0.231770833333, 0.231770833333, 0.231770833333], [0.233072916667, 0.233072916667, 0.233072916667], [0.234375, 0.234375, 0.234375], [0.235677083333, 0.235677083333, 0.235677083333], [0.236979166667, 0.236979166667, 0.236979166667], [0.23828125, 0.23828125, 0.23828125], [0.239583333333, 0.239583333333, 0.239583333333], [0.240885416667, 0.240885416667, 0.240885416667], [0.2421875, 0.2421875, 0.2421875], [0.243489583333, 0.243489583333, 0.243489583333], [0.244791666667, 0.244791666667, 0.244791666667], [0.24609375, 0.24609375, 0.24609375], [0.247395833333, 0.247395833333, 0.247395833333], [0.248697916667, 0.248697916667, 0.248697916667], [0.25, 0.25, 0.25], [0.25, 0.25, 0.25], [0.251302083333, 0.24609375, 0.251302083333], [0.252604166667, 0.2421875, 0.252604166667], [0.25390625, 0.23828125, 0.25390625], [0.255208333333, 0.234375, 0.255208333333], [0.256510416667, 0.23046875, 0.256510416667], [0.2578125, 0.2265625, 0.2578125], [0.259114583333, 0.22265625, 0.259114583333], [0.260416666667, 0.21875, 0.260416666667], [0.26171875, 0.21484375, 0.26171875], [0.263020833333, 0.2109375, 0.263020833333], [0.264322916667, 0.20703125, 0.264322916667], [0.265625, 0.203125, 0.265625], [0.266927083333, 0.19921875, 0.266927083333], [0.268229166667, 0.1953125, 0.268229166667], [0.26953125, 0.19140625, 0.26953125], [0.270833333333, 0.1875, 0.270833333333], [0.272135416667, 0.18359375, 0.272135416667], [0.2734375, 0.1796875, 0.2734375], [0.274739583333, 0.17578125, 0.274739583333], [0.276041666667, 0.171875, 0.276041666667], [0.27734375, 0.16796875, 0.27734375], [0.278645833333, 0.1640625, 0.278645833333], [0.279947916667, 0.16015625, 0.279947916667], [0.28125, 0.15625, 0.28125], [0.282552083333, 0.15234375, 0.282552083333], [0.283854166667, 0.1484375, 0.283854166667], [0.28515625, 0.14453125, 0.28515625], [0.286458333333, 0.140625, 0.286458333333], [0.287760416667, 0.13671875, 0.287760416667], [0.2890625, 0.1328125, 0.2890625], [0.290364583333, 0.12890625, 0.290364583333], [0.291666666667, 0.125, 0.291666666667], [0.29296875, 0.12109375, 0.29296875], [0.294270833333, 0.1171875, 0.294270833333], [0.295572916667, 0.11328125, 0.295572916667], [0.296875, 0.109375, 0.296875], [0.298177083333, 0.10546875, 0.298177083333], [0.299479166667, 0.1015625, 0.299479166667], [0.30078125, 0.09765625, 0.30078125], [0.302083333333, 0.09375, 0.302083333333], [0.303385416667, 0.08984375, 0.303385416667], [0.3046875, 0.0859375, 0.3046875], [0.305989583333, 0.08203125, 0.305989583333], [0.307291666667, 0.078125, 0.307291666667], [0.30859375, 0.07421875, 0.30859375], [0.309895833333, 0.0703125, 0.309895833333], [0.311197916667, 0.06640625, 0.311197916667], [0.3125, 0.0625, 0.3125], [0.313802083333, 0.05859375, 0.313802083333], [0.315104166667, 0.0546875, 0.315104166667], [0.31640625, 0.05078125, 0.31640625], [0.317708333333, 0.046875, 0.317708333333], [0.319010416667, 0.04296875, 0.319010416667], [0.3203125, 0.0390625, 0.3203125], [0.321614583333, 0.03515625, 0.321614583333], [0.322916666667, 0.03125, 0.322916666667], [0.32421875, 0.02734375, 0.32421875], [0.325520833333, 0.0234375, 0.325520833333], [0.326822916667, 0.01953125, 0.326822916667], [0.328125, 0.015625, 0.328125], [0.329427083333, 0.01171875, 0.329427083333], [0.330729166667, 0.0078125, 0.330729166667], [0.33203125, 0.00390625, 0.33203125], [0.333333333333, 2.77555756156e-17, 0.333333333333], [0.334635416667, -0.00390625, 0.334635416667], [0.3359375, -0.0078125, 0.3359375], [0.337239583333, -0.01171875, 0.337239583333], [0.338541666667, -0.015625, 0.338541666667], [0.33984375, -0.01953125, 0.33984375], [0.341145833333, -0.0234375, 0.341145833333], [0.342447916667, -0.02734375, 0.342447916667], [0.34375, -0.03125, 0.34375], [0.345052083333, -0.03515625, 0.345052083333], [0.346354166667, -0.0390625, 0.346354166667], [0.34765625, -0.04296875, 0.34765625], [0.348958333333, -0.046875, 0.348958333333], [0.350260416667, -0.05078125, 0.350260416667], [0.3515625, -0.0546875, 0.3515625], [0.352864583333, -0.05859375, 0.352864583333], [0.354166666667, -0.0625, 0.354166666667], [0.35546875, -0.06640625, 0.35546875], [0.356770833333, -0.0703125, 0.356770833333], [0.358072916667, -0.07421875, 0.358072916667], [0.359375, -0.078125, 0.359375], [0.360677083333, -0.08203125, 0.360677083333], [0.361979166667, -0.0859375, 0.361979166667], [0.36328125, -0.08984375, 0.36328125], [0.364583333333, -0.09375, 0.364583333333], [0.365885416667, -0.09765625, 0.365885416667], [0.3671875, -0.1015625, 0.3671875], [0.368489583333, -0.10546875, 0.368489583333], [0.369791666667, -0.109375, 0.369791666667], [0.37109375, -0.11328125, 0.37109375], [0.372395833333, -0.1171875, 0.372395833333], [0.373697916667, -0.12109375, 0.373697916667], [0.375, -0.125, 0.375], [0.376302083333, -0.12890625, 0.376302083333], [0.377604166667, -0.1328125, 0.377604166667], [0.37890625, -0.13671875, 0.37890625], [0.380208333333, -0.140625, 0.380208333333], [0.381510416667, -0.14453125, 0.381510416667], [0.3828125, -0.1484375, 0.3828125], [0.384114583333, -0.15234375, 0.384114583333], [0.385416666667, -0.15625, 0.385416666667], [0.38671875, -0.16015625, 0.38671875], [0.388020833333, -0.1640625, 0.388020833333], [0.389322916667, -0.16796875, 0.389322916667], [0.390625, -0.171875, 0.390625], [0.391927083333, -0.17578125, 0.391927083333], [0.393229166667, -0.1796875, 0.393229166667], [0.39453125, -0.18359375, 0.39453125], [0.395833333333, -0.1875, 0.395833333333], [0.397135416667, -0.19140625, 0.397135416667], [0.3984375, -0.1953125, 0.3984375], [0.399739583333, -0.19921875, 0.399739583333], [0.401041666667, -0.203125, 0.401041666667], [0.40234375, -0.20703125, 0.40234375], [0.403645833333, -0.2109375, 0.403645833333], [0.404947916667, -0.21484375, 0.404947916667], [0.40625, -0.21875, 0.40625], [0.407552083333, -0.22265625, 0.407552083333], [0.408854166667, -0.2265625, 0.408854166667], [0.41015625, -0.23046875, 0.41015625], [0.411458333333, -0.234375, 0.411458333333], [0.412760416667, -0.23828125, 0.412760416667], [0.4140625, -0.2421875, 0.4140625], [0.415364583333, -0.24609375, 0.415364583333], [0.416666666667, -0.25, 0.416666666667], [0.41796875, -0.25390625, 0.41796875], [0.419270833333, -0.2578125, 0.419270833333], [0.420572916667, -0.26171875, 0.420572916667], [0.421875, -0.265625, 0.421875], [0.423177083333, -0.26953125, 0.423177083333], [0.424479166667, -0.2734375, 0.424479166667], [0.42578125, -0.27734375, 0.42578125], [0.427083333333, -0.28125, 0.427083333333], [0.428385416667, -0.28515625, 0.428385416667], [0.4296875, -0.2890625, 0.4296875], [0.430989583333, -0.29296875, 0.430989583333], [0.432291666667, -0.296875, 0.432291666667], [0.43359375, -0.30078125, 0.43359375], [0.434895833333, -0.3046875, 0.434895833333], [0.436197916667, -0.30859375, 0.436197916667], [0.4375, -0.3125, 0.4375], [0.438802083333, -0.31640625, 0.438802083333], [0.440104166667, -0.3203125, 0.440104166667], [0.44140625, -0.32421875, 0.44140625], [0.442708333333, -0.328125, 0.442708333333], [0.444010416667, -0.33203125, 0.444010416667], [0.4453125, -0.3359375, 0.4453125], [0.446614583333, -0.33984375, 0.446614583333], [0.447916666667, -0.34375, 0.447916666667], [0.44921875, -0.34765625, 0.44921875], [0.450520833333, -0.3515625, 0.450520833333], [0.451822916667, -0.35546875, 0.451822916667], [0.453125, -0.359375, 0.453125], [0.454427083333, -0.36328125, 0.454427083333], [0.455729166667, -0.3671875, 0.455729166667], [0.45703125, -0.37109375, 0.45703125], [0.458333333333, -0.375, 0.458333333333], [0.459635416667, -0.37890625, 0.459635416667], [0.4609375, -0.3828125, 0.4609375], [0.462239583333, -0.38671875, 0.462239583333], [0.463541666667, -0.390625, 0.463541666667], [0.46484375, -0.39453125, 0.46484375], [0.466145833333, -0.3984375, 0.466145833333], [0.467447916667, -0.40234375, 0.467447916667], [0.46875, -0.40625, 0.46875], [0.470052083333, -0.41015625, 0.470052083333], [0.471354166667, -0.4140625, 0.471354166667], [0.47265625, -0.41796875, 0.47265625], [0.473958333333, -0.421875, 0.473958333333], [0.475260416667, -0.42578125, 0.475260416667], [0.4765625, -0.4296875, 0.4765625], [0.477864583333, -0.43359375, 0.477864583333], [0.479166666667, -0.4375, 0.479166666667], [0.48046875, -0.44140625, 0.48046875], [0.481770833333, -0.4453125, 0.481770833333], [0.483072916667, -0.44921875, 0.483072916667], [0.484375, -0.453125, 0.484375], [0.485677083333, -0.45703125, 0.485677083333], [0.486979166667, -0.4609375, 0.486979166667], [0.48828125, -0.46484375, 0.48828125], [0.489583333333, -0.46875, 0.489583333333], [0.490885416667, -0.47265625, 0.490885416667], [0.4921875, -0.4765625, 0.4921875], [0.493489583333, -0.48046875, 0.493489583333], [0.494791666667, -0.484375, 0.494791666667], [0.49609375, -0.48828125, 0.49609375], [0.497395833333, -0.4921875, 0.497395833333], [0.498697916667, -0.49609375, 0.498697916667], [0.5, -0.5, 0.5], [0.25, 0.25, 0.25], [0.247747747748, 0.247747747748, 0.252252252252], [0.245495495495, 0.245495495495, 0.254504504505], [0.243243243243, 0.243243243243, 0.256756756757], [0.240990990991, 0.240990990991, 0.259009009009], [0.238738738739, 0.238738738739, 0.261261261261], [0.236486486486, 0.236486486486, 0.263513513514], [0.234234234234, 0.234234234234, 0.265765765766], [0.231981981982, 0.231981981982, 0.268018018018], [0.22972972973, 0.22972972973, 0.27027027027], [0.227477477477, 0.227477477477, 0.272522522523], [0.225225225225, 0.225225225225, 0.274774774775], [0.222972972973, 0.222972972973, 0.277027027027], [0.220720720721, 0.220720720721, 0.279279279279], [0.218468468468, 0.218468468468, 0.281531531532], [0.216216216216, 0.216216216216, 0.283783783784], [0.213963963964, 0.213963963964, 0.286036036036], [0.211711711712, 0.211711711712, 0.288288288288], [0.209459459459, 0.209459459459, 0.290540540541], [0.207207207207, 0.207207207207, 0.292792792793], [0.204954954955, 0.204954954955, 0.295045045045], [0.202702702703, 0.202702702703, 0.297297297297], [0.20045045045, 0.20045045045, 0.29954954955], [0.198198198198, 0.198198198198, 0.301801801802], [0.195945945946, 0.195945945946, 0.304054054054], [0.193693693694, 0.193693693694, 0.306306306306], [0.191441441441, 0.191441441441, 0.308558558559], [0.189189189189, 0.189189189189, 0.310810810811], [0.186936936937, 0.186936936937, 0.313063063063], [0.184684684685, 0.184684684685, 0.315315315315], [0.182432432432, 0.182432432432, 0.317567567568], [0.18018018018, 0.18018018018, 0.31981981982], [0.177927927928, 0.177927927928, 0.322072072072], [0.175675675676, 0.175675675676, 0.324324324324], [0.173423423423, 0.173423423423, 0.326576576577], [0.171171171171, 0.171171171171, 0.328828828829], [0.168918918919, 0.168918918919, 0.331081081081], [0.166666666667, 0.166666666667, 0.333333333333], [0.164414414414, 0.164414414414, 0.335585585586], [0.162162162162, 0.162162162162, 0.337837837838], [0.15990990991, 0.15990990991, 0.34009009009], [0.157657657658, 0.157657657658, 0.342342342342], [0.155405405405, 0.155405405405, 0.344594594595], [0.153153153153, 0.153153153153, 0.346846846847], [0.150900900901, 0.150900900901, 0.349099099099], [0.148648648649, 0.148648648649, 0.351351351351], [0.146396396396, 0.146396396396, 0.353603603604], [0.144144144144, 0.144144144144, 0.355855855856], [0.141891891892, 0.141891891892, 0.358108108108], [0.13963963964, 0.13963963964, 0.36036036036], [0.137387387387, 0.137387387387, 0.362612612613], [0.135135135135, 0.135135135135, 0.364864864865], [0.132882882883, 0.132882882883, 0.367117117117], [0.130630630631, 0.130630630631, 0.369369369369], [0.128378378378, 0.128378378378, 0.371621621622], [0.126126126126, 0.126126126126, 0.373873873874], [0.123873873874, 0.123873873874, 0.376126126126], [0.121621621622, 0.121621621622, 0.378378378378], [0.119369369369, 0.119369369369, 0.380630630631], [0.117117117117, 0.117117117117, 0.382882882883], [0.114864864865, 0.114864864865, 0.385135135135], [0.112612612613, 0.112612612613, 0.387387387387], [0.11036036036, 0.11036036036, 0.38963963964], [0.108108108108, 0.108108108108, 0.391891891892], [0.105855855856, 0.105855855856, 0.394144144144], [0.103603603604, 0.103603603604, 0.396396396396], [0.101351351351, 0.101351351351, 0.398648648649], [0.0990990990991, 0.0990990990991, 0.400900900901], [0.0968468468468, 0.0968468468468, 0.403153153153], [0.0945945945946, 0.0945945945946, 0.405405405405], [0.0923423423423, 0.0923423423423, 0.407657657658], [0.0900900900901, 0.0900900900901, 0.40990990991], [0.0878378378378, 0.0878378378378, 0.412162162162], [0.0855855855856, 0.0855855855856, 0.414414414414], [0.0833333333333, 0.0833333333333, 0.416666666667], [0.0810810810811, 0.0810810810811, 0.418918918919], [0.0788288288288, 0.0788288288288, 0.421171171171], [0.0765765765766, 0.0765765765766, 0.423423423423], [0.0743243243243, 0.0743243243243, 0.425675675676], [0.0720720720721, 0.0720720720721, 0.427927927928], [0.0698198198198, 0.0698198198198, 0.43018018018], [0.0675675675676, 0.0675675675676, 0.432432432432], [0.0653153153153, 0.0653153153153, 0.434684684685], [0.0630630630631, 0.0630630630631, 0.436936936937], [0.0608108108108, 0.0608108108108, 0.439189189189], [0.0585585585586, 0.0585585585586, 0.441441441441], [0.0563063063063, 0.0563063063063, 0.443693693694], [0.0540540540541, 0.0540540540541, 0.445945945946], [0.0518018018018, 0.0518018018018, 0.448198198198], [0.0495495495495, 0.0495495495495, 0.45045045045], [0.0472972972973, 0.0472972972973, 0.452702702703], [0.045045045045, 0.045045045045, 0.454954954955], [0.0427927927928, 0.0427927927928, 0.457207207207], [0.0405405405405, 0.0405405405405, 0.459459459459], [0.0382882882883, 0.0382882882883, 0.461711711712], [0.036036036036, 0.036036036036, 0.463963963964], [0.0337837837838, 0.0337837837838, 0.466216216216], [0.0315315315315, 0.0315315315315, 0.468468468468], [0.0292792792793, 0.0292792792793, 0.470720720721], [0.027027027027, 0.027027027027, 0.472972972973], [0.0247747747748, 0.0247747747748, 0.475225225225], [0.0225225225225, 0.0225225225225, 0.477477477477], [0.0202702702703, 0.0202702702703, 0.47972972973], [0.018018018018, 0.018018018018, 0.481981981982], [0.0157657657658, 0.0157657657658, 0.484234234234], [0.0135135135135, 0.0135135135135, 0.486486486486], [0.0112612612613, 0.0112612612613, 0.488738738739], [0.00900900900901, 0.00900900900901, 0.490990990991], [0.00675675675676, 0.00675675675676, 0.493243243243], [0.0045045045045, 0.0045045045045, 0.495495495495], [0.00225225225225, 0.00225225225225, 0.497747747748], [-2.77555756156e-17, 2.77555756156e-17, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "N", "N", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "P", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "N"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 15, "NCORE": 4, "NEDOS": 601, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 2600, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0212765957447, 0.0, 0.0], [0.0425531914894, 0.0, 0.0], [0.063829787234, 0.0, 0.0], [0.0851063829787, 0.0, 0.0], [0.106382978723, 0.0, 0.0], [0.127659574468, 0.0, 0.0], [0.148936170213, 0.0, 0.0], [0.170212765957, 0.0, 0.0], [0.191489361702, 0.0, 0.0], [0.212765957447, 0.0, 0.0], [0.234042553191, 0.0, 0.0], [0.255319148936, 0.0, 0.0], [0.276595744681, 0.0, 0.0], [0.297872340426, 0.0, 0.0], [0.31914893617, 0.0, 0.0], [0.340425531915, 0.0, 0.0], [0.36170212766, 0.0, 0.0], [0.382978723404, 0.0, 0.0], [0.404255319149, 0.0, 0.0], [0.425531914894, 0.0, 0.0], [0.446808510638, 0.0, 0.0], [0.468085106383, 0.0, 0.0], [0.489361702128, 0.0, 0.0], [0.0212765957447, 0.0212765957447, 0.0], [0.0425531914894, 0.0212765957447, 0.0], [0.063829787234, 0.0212765957447, 0.0], [0.0851063829787, 0.0212765957447, 0.0], [0.106382978723, 0.0212765957447, 0.0], [0.127659574468, 0.0212765957447, 0.0], [0.148936170213, 0.0212765957447, 0.0], [0.170212765957, 0.0212765957447, 0.0], [0.191489361702, 0.0212765957447, 0.0], [0.212765957447, 0.0212765957447, 0.0], [0.234042553191, 0.0212765957447, 0.0], [0.255319148936, 0.0212765957447, 0.0], [0.276595744681, 0.0212765957447, 0.0], [0.297872340426, 0.0212765957447, 0.0], [0.31914893617, 0.0212765957447, 0.0], [0.340425531915, 0.0212765957447, 0.0], [0.36170212766, 0.0212765957447, 0.0], [0.382978723404, 0.0212765957447, 0.0], [0.404255319149, 0.0212765957447, 0.0], [0.425531914894, 0.0212765957447, 0.0], [0.446808510638, 0.0212765957447, 0.0], [0.468085106383, 0.0212765957447, 0.0], [0.489361702128, 0.0212765957447, 0.0], [0.0425531914894, 0.0425531914894, 0.0], [0.063829787234, 0.0425531914894, 0.0], [0.0851063829787, 0.0425531914894, 0.0], [0.106382978723, 0.0425531914894, 0.0], [0.127659574468, 0.0425531914894, 0.0], [0.148936170213, 0.0425531914894, 0.0], [0.170212765957, 0.0425531914894, 0.0], [0.191489361702, 0.0425531914894, 0.0], [0.212765957447, 0.0425531914894, 0.0], [0.234042553191, 0.0425531914894, 0.0], [0.255319148936, 0.0425531914894, 0.0], [0.276595744681, 0.0425531914894, 0.0], [0.297872340426, 0.0425531914894, 0.0], [0.31914893617, 0.0425531914894, 0.0], [0.340425531915, 0.0425531914894, 0.0], [0.36170212766, 0.0425531914894, 0.0], [0.382978723404, 0.0425531914894, 0.0], [0.404255319149, 0.0425531914894, 0.0], [0.425531914894, 0.0425531914894, 0.0], [0.446808510638, 0.0425531914894, 0.0], [0.468085106383, 0.0425531914894, 0.0], [0.063829787234, 0.063829787234, 0.0], [0.0851063829787, 0.063829787234, 0.0], [0.106382978723, 0.063829787234, 0.0], [0.127659574468, 0.063829787234, 0.0], [0.148936170213, 0.063829787234, 0.0], [0.170212765957, 0.063829787234, 0.0], [0.191489361702, 0.063829787234, 0.0], [0.212765957447, 0.063829787234, 0.0], [0.234042553191, 0.063829787234, 0.0], [0.255319148936, 0.063829787234, 0.0], [0.276595744681, 0.063829787234, 0.0], [0.297872340426, 0.063829787234, 0.0], [0.31914893617, 0.063829787234, 0.0], [0.340425531915, 0.063829787234, 0.0], [0.36170212766, 0.063829787234, 0.0], [0.382978723404, 0.063829787234, 0.0], [0.404255319149, 0.063829787234, 0.0], [0.425531914894, 0.063829787234, 0.0], [0.446808510638, 0.063829787234, 0.0], [0.468085106383, 0.063829787234, 0.0], [0.0851063829787, 0.0851063829787, 0.0], [0.106382978723, 0.0851063829787, 0.0], [0.127659574468, 0.0851063829787, 0.0], [0.148936170213, 0.0851063829787, 0.0], [0.170212765957, 0.0851063829787, 0.0], [0.191489361702, 0.0851063829787, 0.0], [0.212765957447, 0.0851063829787, 0.0], [0.234042553191, 0.0851063829787, 0.0], [0.255319148936, 0.0851063829787, 0.0], [0.276595744681, 0.0851063829787, 0.0], [0.297872340426, 0.0851063829787, 0.0], [0.31914893617, 0.0851063829787, 0.0], [0.340425531915, 0.0851063829787, 0.0], [0.36170212766, 0.0851063829787, 0.0], [0.382978723404, 0.0851063829787, 0.0], [0.404255319149, 0.0851063829787, 0.0], [0.425531914894, 0.0851063829787, 0.0], [0.446808510638, 0.0851063829787, 0.0], [0.106382978723, 0.106382978723, 0.0], [0.127659574468, 0.106382978723, 0.0], [0.148936170213, 0.106382978723, 0.0], [0.170212765957, 0.106382978723, 0.0], [0.191489361702, 0.106382978723, 0.0], [0.212765957447, 0.106382978723, 0.0], [0.234042553191, 0.106382978723, 0.0], [0.255319148936, 0.106382978723, 0.0], [0.276595744681, 0.106382978723, 0.0], [0.297872340426, 0.106382978723, 0.0], [0.31914893617, 0.106382978723, 0.0], [0.340425531915, 0.106382978723, 0.0], [0.36170212766, 0.106382978723, 0.0], [0.382978723404, 0.106382978723, 0.0], [0.404255319149, 0.106382978723, 0.0], [0.425531914894, 0.106382978723, 0.0], [0.446808510638, 0.106382978723, 0.0], [0.127659574468, 0.127659574468, 0.0], [0.148936170213, 0.127659574468, 0.0], [0.170212765957, 0.127659574468, 0.0], [0.191489361702, 0.127659574468, 0.0], [0.212765957447, 0.127659574468, 0.0], [0.234042553191, 0.127659574468, 0.0], [0.255319148936, 0.127659574468, 0.0], [0.276595744681, 0.127659574468, 0.0], [0.297872340426, 0.127659574468, 0.0], [0.31914893617, 0.127659574468, 0.0], [0.340425531915, 0.127659574468, 0.0], [0.36170212766, 0.127659574468, 0.0], [0.382978723404, 0.127659574468, 0.0], [0.404255319149, 0.127659574468, 0.0], [0.425531914894, 0.127659574468, 0.0], [0.148936170213, 0.148936170213, 0.0], [0.170212765957, 0.148936170213, 0.0], [0.191489361702, 0.148936170213, 0.0], [0.212765957447, 0.148936170213, 0.0], [0.234042553191, 0.148936170213, 0.0], [0.255319148936, 0.148936170213, 0.0], [0.276595744681, 0.148936170213, 0.0], [0.297872340426, 0.148936170213, 0.0], [0.31914893617, 0.148936170213, 0.0], [0.340425531915, 0.148936170213, 0.0], [0.36170212766, 0.148936170213, 0.0], [0.382978723404, 0.148936170213, 0.0], [0.404255319149, 0.148936170213, 0.0], [0.425531914894, 0.148936170213, 0.0], [0.170212765957, 0.170212765957, 0.0], [0.191489361702, 0.170212765957, 0.0], [0.212765957447, 0.170212765957, 0.0], [0.234042553191, 0.170212765957, 0.0], [0.255319148936, 0.170212765957, 0.0], [0.276595744681, 0.170212765957, 0.0], [0.297872340426, 0.170212765957, 0.0], [0.31914893617, 0.170212765957, 0.0], [0.340425531915, 0.170212765957, 0.0], [0.36170212766, 0.170212765957, 0.0], [0.382978723404, 0.170212765957, 0.0], [0.404255319149, 0.170212765957, 0.0], [0.191489361702, 0.191489361702, 0.0], [0.212765957447, 0.191489361702, 0.0], [0.234042553191, 0.191489361702, 0.0], [0.255319148936, 0.191489361702, 0.0], [0.276595744681, 0.191489361702, 0.0], [0.297872340426, 0.191489361702, 0.0], [0.31914893617, 0.191489361702, 0.0], [0.340425531915, 0.191489361702, 0.0], [0.36170212766, 0.191489361702, 0.0], [0.382978723404, 0.191489361702, 0.0], [0.404255319149, 0.191489361702, 0.0], [0.212765957447, 0.212765957447, 0.0], [0.234042553191, 0.212765957447, 0.0], [0.255319148936, 0.212765957447, 0.0], [0.276595744681, 0.212765957447, 0.0], [0.297872340426, 0.212765957447, 0.0], [0.31914893617, 0.212765957447, 0.0], [0.340425531915, 0.212765957447, 0.0], [0.36170212766, 0.212765957447, 0.0], [0.382978723404, 0.212765957447, 0.0], [0.234042553191, 0.234042553191, 0.0], [0.255319148936, 0.234042553191, 0.0], [0.276595744681, 0.234042553191, 0.0], [0.297872340426, 0.234042553191, 0.0], [0.31914893617, 0.234042553191, 0.0], [0.340425531915, 0.234042553191, 0.0], [0.36170212766, 0.234042553191, 0.0], [0.382978723404, 0.234042553191, 0.0], [0.255319148936, 0.255319148936, 0.0], [0.276595744681, 0.255319148936, 0.0], [0.297872340426, 0.255319148936, 0.0], [0.31914893617, 0.255319148936, 0.0], [0.340425531915, 0.255319148936, 0.0], [0.36170212766, 0.255319148936, 0.0], [0.276595744681, 0.276595744681, 0.0], [0.297872340426, 0.276595744681, 0.0], [0.31914893617, 0.276595744681, 0.0], [0.340425531915, 0.276595744681, 0.0], [0.36170212766, 0.276595744681, 0.0], [0.297872340426, 0.297872340426, 0.0], [0.31914893617, 0.297872340426, 0.0], [0.340425531915, 0.297872340426, 0.0], [0.31914893617, 0.31914893617, 0.0], [0.340425531915, 0.31914893617, 0.0], [0.0212765957447, 0.0212765957447, 0.0212765957447], [0.0425531914894, 0.0212765957447, 0.0212765957447], [0.063829787234, 0.0212765957447, 0.0212765957447], [0.0851063829787, 0.0212765957447, 0.0212765957447], [0.106382978723, 0.0212765957447, 0.0212765957447], [0.127659574468, 0.0212765957447, 0.0212765957447], [0.148936170213, 0.0212765957447, 0.0212765957447], [0.170212765957, 0.0212765957447, 0.0212765957447], [0.191489361702, 0.0212765957447, 0.0212765957447], [0.212765957447, 0.0212765957447, 0.0212765957447], [0.234042553191, 0.0212765957447, 0.0212765957447], [0.255319148936, 0.0212765957447, 0.0212765957447], [0.276595744681, 0.0212765957447, 0.0212765957447], [0.297872340426, 0.0212765957447, 0.0212765957447], [0.31914893617, 0.0212765957447, 0.0212765957447], [0.340425531915, 0.0212765957447, 0.0212765957447], [0.36170212766, 0.0212765957447, 0.0212765957447], [0.382978723404, 0.0212765957447, 0.0212765957447], [0.404255319149, 0.0212765957447, 0.0212765957447], [0.425531914894, 0.0212765957447, 0.0212765957447], [0.446808510638, 0.0212765957447, 0.0212765957447], [0.468085106383, 0.0212765957447, 0.0212765957447], [-0.0212765957447, 0.0212765957447, 0.0212765957447], [0.0425531914894, 0.0425531914894, 0.0212765957447], [0.063829787234, 0.0425531914894, 0.0212765957447], [0.0851063829787, 0.0425531914894, 0.0212765957447], [0.106382978723, 0.0425531914894, 0.0212765957447], [0.127659574468, 0.0425531914894, 0.0212765957447], [0.148936170213, 0.0425531914894, 0.0212765957447], [0.170212765957, 0.0425531914894, 0.0212765957447], [0.191489361702, 0.0425531914894, 0.0212765957447], [0.212765957447, 0.0425531914894, 0.0212765957447], [0.234042553191, 0.0425531914894, 0.0212765957447], [0.255319148936, 0.0425531914894, 0.0212765957447], [0.276595744681, 0.0425531914894, 0.0212765957447], [0.297872340426, 0.0425531914894, 0.0212765957447], [0.31914893617, 0.0425531914894, 0.0212765957447], [0.340425531915, 0.0425531914894, 0.0212765957447], [0.36170212766, 0.0425531914894, 0.0212765957447], [0.382978723404, 0.0425531914894, 0.0212765957447], [0.404255319149, 0.0425531914894, 0.0212765957447], [0.425531914894, 0.0425531914894, 0.0212765957447], [0.446808510638, 0.0425531914894, 0.0212765957447], [0.468085106383, 0.0425531914894, 0.0212765957447], [-0.0425531914894, 0.0425531914894, 0.0212765957447], [0.063829787234, 0.063829787234, 0.0212765957447], [0.0851063829787, 0.063829787234, 0.0212765957447], [0.106382978723, 0.063829787234, 0.0212765957447], [0.127659574468, 0.063829787234, 0.0212765957447], [0.148936170213, 0.063829787234, 0.0212765957447], [0.170212765957, 0.063829787234, 0.0212765957447], [0.191489361702, 0.063829787234, 0.0212765957447], [0.212765957447, 0.063829787234, 0.0212765957447], [0.234042553191, 0.063829787234, 0.0212765957447], [0.255319148936, 0.063829787234, 0.0212765957447], [0.276595744681, 0.063829787234, 0.0212765957447], [0.297872340426, 0.063829787234, 0.0212765957447], [0.31914893617, 0.063829787234, 0.0212765957447], [0.340425531915, 0.063829787234, 0.0212765957447], [0.36170212766, 0.063829787234, 0.0212765957447], [0.382978723404, 0.063829787234, 0.0212765957447], [0.404255319149, 0.063829787234, 0.0212765957447], [0.425531914894, 0.063829787234, 0.0212765957447], [0.446808510638, 0.063829787234, 0.0212765957447], [-0.063829787234, 0.063829787234, 0.0212765957447], [-0.0425531914894, 0.063829787234, 0.0212765957447], [0.0851063829787, 0.0851063829787, 0.0212765957447], [0.106382978723, 0.0851063829787, 0.0212765957447], [0.127659574468, 0.0851063829787, 0.0212765957447], [0.148936170213, 0.0851063829787, 0.0212765957447], [0.170212765957, 0.0851063829787, 0.0212765957447], [0.191489361702, 0.0851063829787, 0.0212765957447], [0.212765957447, 0.0851063829787, 0.0212765957447], [0.234042553191, 0.0851063829787, 0.0212765957447], [0.255319148936, 0.0851063829787, 0.0212765957447], [0.276595744681, 0.0851063829787, 0.0212765957447], [0.297872340426, 0.0851063829787, 0.0212765957447], [0.31914893617, 0.0851063829787, 0.0212765957447], [0.340425531915, 0.0851063829787, 0.0212765957447], [0.36170212766, 0.0851063829787, 0.0212765957447], [0.382978723404, 0.0851063829787, 0.0212765957447], [0.404255319149, 0.0851063829787, 0.0212765957447], [0.425531914894, 0.0851063829787, 0.0212765957447], [0.446808510638, 0.0851063829787, 0.0212765957447], [-0.0851063829787, 0.0851063829787, 0.0212765957447], [-0.063829787234, 0.0851063829787, 0.0212765957447], [0.106382978723, 0.106382978723, 0.0212765957447], [0.127659574468, 0.106382978723, 0.0212765957447], [0.148936170213, 0.106382978723, 0.0212765957447], [0.170212765957, 0.106382978723, 0.0212765957447], [0.191489361702, 0.106382978723, 0.0212765957447], [0.212765957447, 0.106382978723, 0.0212765957447], [0.234042553191, 0.106382978723, 0.0212765957447], [0.255319148936, 0.106382978723, 0.0212765957447], [0.276595744681, 0.106382978723, 0.0212765957447], [0.297872340426, 0.106382978723, 0.0212765957447], [0.31914893617, 0.106382978723, 0.0212765957447], [0.340425531915, 0.106382978723, 0.0212765957447], [0.36170212766, 0.106382978723, 0.0212765957447], [0.382978723404, 0.106382978723, 0.0212765957447], [0.404255319149, 0.106382978723, 0.0212765957447], [0.425531914894, 0.106382978723, 0.0212765957447], [-0.106382978723, 0.106382978723, 0.0212765957447], [-0.0851063829787, 0.106382978723, 0.0212765957447], [-0.063829787234, 0.106382978723, 0.0212765957447], [0.127659574468, 0.127659574468, 0.0212765957447], [0.148936170213, 0.127659574468, 0.0212765957447], [0.170212765957, 0.127659574468, 0.0212765957447], [0.191489361702, 0.127659574468, 0.0212765957447], [0.212765957447, 0.127659574468, 0.0212765957447], [0.234042553191, 0.127659574468, 0.0212765957447], [0.255319148936, 0.127659574468, 0.0212765957447], [0.276595744681, 0.127659574468, 0.0212765957447], [0.297872340426, 0.127659574468, 0.0212765957447], [0.31914893617, 0.127659574468, 0.0212765957447], [0.340425531915, 0.127659574468, 0.0212765957447], [0.36170212766, 0.127659574468, 0.0212765957447], [0.382978723404, 0.127659574468, 0.0212765957447], [0.404255319149, 0.127659574468, 0.0212765957447], [0.425531914894, 0.127659574468, 0.0212765957447], [-0.127659574468, 0.127659574468, 0.0212765957447], [-0.106382978723, 0.127659574468, 0.0212765957447], [-0.0851063829787, 0.127659574468, 0.0212765957447], [0.148936170213, 0.148936170213, 0.0212765957447], [0.170212765957, 0.148936170213, 0.0212765957447], [0.191489361702, 0.148936170213, 0.0212765957447], [0.212765957447, 0.148936170213, 0.0212765957447], [0.234042553191, 0.148936170213, 0.0212765957447], [0.255319148936, 0.148936170213, 0.0212765957447], [0.276595744681, 0.148936170213, 0.0212765957447], [0.297872340426, 0.148936170213, 0.0212765957447], [0.31914893617, 0.148936170213, 0.0212765957447], [0.340425531915, 0.148936170213, 0.0212765957447], [0.36170212766, 0.148936170213, 0.0212765957447], [0.382978723404, 0.148936170213, 0.0212765957447], [0.404255319149, 0.148936170213, 0.0212765957447], [-0.148936170213, 0.148936170213, 0.0212765957447], [-0.127659574468, 0.148936170213, 0.0212765957447], [-0.106382978723, 0.148936170213, 0.0212765957447], [-0.0851063829787, 0.148936170213, 0.0212765957447], [0.170212765957, 0.170212765957, 0.0212765957447], [0.191489361702, 0.170212765957, 0.0212765957447], [0.212765957447, 0.170212765957, 0.0212765957447], [0.234042553191, 0.170212765957, 0.0212765957447], [0.255319148936, 0.170212765957, 0.0212765957447], [0.276595744681, 0.170212765957, 0.0212765957447], [0.297872340426, 0.170212765957, 0.0212765957447], [0.31914893617, 0.170212765957, 0.0212765957447], [0.340425531915, 0.170212765957, 0.0212765957447], [0.36170212766, 0.170212765957, 0.0212765957447], [0.382978723404, 0.170212765957, 0.0212765957447], [0.404255319149, 0.170212765957, 0.0212765957447], [-0.170212765957, 0.170212765957, 0.0212765957447], [-0.148936170213, 0.170212765957, 0.0212765957447], [-0.127659574468, 0.170212765957, 0.0212765957447], [-0.106382978723, 0.170212765957, 0.0212765957447], [0.191489361702, 0.191489361702, 0.0212765957447], [0.212765957447, 0.191489361702, 0.0212765957447], [0.234042553191, 0.191489361702, 0.0212765957447], [0.255319148936, 0.191489361702, 0.0212765957447], [0.276595744681, 0.191489361702, 0.0212765957447], [0.297872340426, 0.191489361702, 0.0212765957447], [0.31914893617, 0.191489361702, 0.0212765957447], [0.340425531915, 0.191489361702, 0.0212765957447], [0.36170212766, 0.191489361702, 0.0212765957447], [0.382978723404, 0.191489361702, 0.0212765957447], [-0.191489361702, 0.191489361702, 0.0212765957447], [-0.170212765957, 0.191489361702, 0.0212765957447], [-0.148936170213, 0.191489361702, 0.0212765957447], [-0.127659574468, 0.191489361702, 0.0212765957447], [-0.106382978723, 0.191489361702, 0.0212765957447], [0.212765957447, 0.212765957447, 0.0212765957447], [0.234042553191, 0.212765957447, 0.0212765957447], [0.255319148936, 0.212765957447, 0.0212765957447], [0.276595744681, 0.212765957447, 0.0212765957447], [0.297872340426, 0.212765957447, 0.0212765957447], [0.31914893617, 0.212765957447, 0.0212765957447], [0.340425531915, 0.212765957447, 0.0212765957447], [0.36170212766, 0.212765957447, 0.0212765957447], [0.382978723404, 0.212765957447, 0.0212765957447], [-0.212765957447, 0.212765957447, 0.0212765957447], [-0.191489361702, 0.212765957447, 0.0212765957447], [-0.170212765957, 0.212765957447, 0.0212765957447], [-0.148936170213, 0.212765957447, 0.0212765957447], [-0.127659574468, 0.212765957447, 0.0212765957447], [0.234042553191, 0.234042553191, 0.0212765957447], [0.255319148936, 0.234042553191, 0.0212765957447], [0.276595744681, 0.234042553191, 0.0212765957447], [0.297872340426, 0.234042553191, 0.0212765957447], [0.31914893617, 0.234042553191, 0.0212765957447], [0.340425531915, 0.234042553191, 0.0212765957447], [0.36170212766, 0.234042553191, 0.0212765957447], [-0.234042553191, 0.234042553191, 0.0212765957447], [-0.212765957447, 0.234042553191, 0.0212765957447], [-0.191489361702, 0.234042553191, 0.0212765957447], [-0.170212765957, 0.234042553191, 0.0212765957447], [-0.148936170213, 0.234042553191, 0.0212765957447], [-0.127659574468, 0.234042553191, 0.0212765957447], [0.255319148936, 0.255319148936, 0.0212765957447], [0.276595744681, 0.255319148936, 0.0212765957447], [0.297872340426, 0.255319148936, 0.0212765957447], [0.31914893617, 0.255319148936, 0.0212765957447], [0.340425531915, 0.255319148936, 0.0212765957447], [0.36170212766, 0.255319148936, 0.0212765957447], [-0.255319148936, 0.255319148936, 0.0212765957447], [-0.234042553191, 0.255319148936, 0.0212765957447], [-0.212765957447, 0.255319148936, 0.0212765957447], [-0.191489361702, 0.255319148936, 0.0212765957447], [-0.170212765957, 0.255319148936, 0.0212765957447], [-0.148936170213, 0.255319148936, 0.0212765957447], [0.276595744681, 0.276595744681, 0.0212765957447], [0.297872340426, 0.276595744681, 0.0212765957447], [0.31914893617, 0.276595744681, 0.0212765957447], [0.340425531915, 0.276595744681, 0.0212765957447], [-0.276595744681, 0.276595744681, 0.0212765957447], [-0.255319148936, 0.276595744681, 0.0212765957447], [-0.234042553191, 0.276595744681, 0.0212765957447], [-0.212765957447, 0.276595744681, 0.0212765957447], [-0.191489361702, 0.276595744681, 0.0212765957447], [-0.170212765957, 0.276595744681, 0.0212765957447], [-0.148936170213, 0.276595744681, 0.0212765957447], [0.297872340426, 0.297872340426, 0.0212765957447], [0.31914893617, 0.297872340426, 0.0212765957447], [0.340425531915, 0.297872340426, 0.0212765957447], [-0.297872340426, 0.297872340426, 0.0212765957447], [-0.276595744681, 0.297872340426, 0.0212765957447], [-0.255319148936, 0.297872340426, 0.0212765957447], [-0.234042553191, 0.297872340426, 0.0212765957447], [-0.212765957447, 0.297872340426, 0.0212765957447], [-0.191489361702, 0.297872340426, 0.0212765957447], [-0.170212765957, 0.297872340426, 0.0212765957447], [0.31914893617, 0.31914893617, 0.0212765957447], [-0.31914893617, 0.31914893617, 0.0212765957447], [-0.297872340426, 0.31914893617, 0.0212765957447], [-0.276595744681, 0.31914893617, 0.0212765957447], [-0.255319148936, 0.31914893617, 0.0212765957447], [-0.234042553191, 0.31914893617, 0.0212765957447], [-0.212765957447, 0.31914893617, 0.0212765957447], [-0.191489361702, 0.31914893617, 0.0212765957447], [-0.170212765957, 0.31914893617, 0.0212765957447], [-0.340425531915, 0.340425531915, 0.0212765957447], [-0.31914893617, 0.340425531915, 0.0212765957447], [-0.297872340426, 0.340425531915, 0.0212765957447], [-0.276595744681, 0.340425531915, 0.0212765957447], [-0.255319148936, 0.340425531915, 0.0212765957447], [-0.234042553191, 0.340425531915, 0.0212765957447], [-0.212765957447, 0.340425531915, 0.0212765957447], [-0.191489361702, 0.340425531915, 0.0212765957447], [-0.36170212766, 0.36170212766, 0.0212765957447], [-0.340425531915, 0.36170212766, 0.0212765957447], [-0.31914893617, 0.36170212766, 0.0212765957447], [-0.297872340426, 0.36170212766, 0.0212765957447], [-0.276595744681, 0.36170212766, 0.0212765957447], [-0.255319148936, 0.36170212766, 0.0212765957447], [-0.234042553191, 0.36170212766, 0.0212765957447], [-0.212765957447, 0.36170212766, 0.0212765957447], [-0.191489361702, 0.36170212766, 0.0212765957447], [-0.382978723404, 0.382978723404, 0.0212765957447], [-0.36170212766, 0.382978723404, 0.0212765957447], [-0.340425531915, 0.382978723404, 0.0212765957447], [-0.31914893617, 0.382978723404, 0.0212765957447], [-0.297872340426, 0.382978723404, 0.0212765957447], [-0.276595744681, 0.382978723404, 0.0212765957447], [-0.255319148936, 0.382978723404, 0.0212765957447], [-0.234042553191, 0.382978723404, 0.0212765957447], [-0.212765957447, 0.382978723404, 0.0212765957447], [-0.404255319149, 0.404255319149, 0.0212765957447], [-0.382978723404, 0.404255319149, 0.0212765957447], [-0.36170212766, 0.404255319149, 0.0212765957447], [-0.340425531915, 0.404255319149, 0.0212765957447], [-0.31914893617, 0.404255319149, 0.0212765957447], [-0.297872340426, 0.404255319149, 0.0212765957447], [-0.276595744681, 0.404255319149, 0.0212765957447], [-0.255319148936, 0.404255319149, 0.0212765957447], [-0.234042553191, 0.404255319149, 0.0212765957447], [-0.212765957447, 0.404255319149, 0.0212765957447], [-0.425531914894, 0.425531914894, 0.0212765957447], [-0.404255319149, 0.425531914894, 0.0212765957447], [-0.382978723404, 0.425531914894, 0.0212765957447], [-0.36170212766, 0.425531914894, 0.0212765957447], [-0.340425531915, 0.425531914894, 0.0212765957447], [-0.31914893617, 0.425531914894, 0.0212765957447], [-0.297872340426, 0.425531914894, 0.0212765957447], [-0.276595744681, 0.425531914894, 0.0212765957447], [-0.255319148936, 0.425531914894, 0.0212765957447], [-0.234042553191, 0.425531914894, 0.0212765957447], [-0.446808510638, 0.446808510638, 0.0212765957447], [-0.425531914894, 0.446808510638, 0.0212765957447], [-0.404255319149, 0.446808510638, 0.0212765957447], [-0.382978723404, 0.446808510638, 0.0212765957447], [-0.36170212766, 0.446808510638, 0.0212765957447], [-0.340425531915, 0.446808510638, 0.0212765957447], [-0.31914893617, 0.446808510638, 0.0212765957447], [-0.297872340426, 0.446808510638, 0.0212765957447], [-0.276595744681, 0.446808510638, 0.0212765957447], [-0.255319148936, 0.446808510638, 0.0212765957447], [-0.234042553191, 0.446808510638, 0.0212765957447], [-0.468085106383, 0.468085106383, 0.0212765957447], [-0.446808510638, 0.468085106383, 0.0212765957447], [-0.425531914894, 0.468085106383, 0.0212765957447], [-0.404255319149, 0.468085106383, 0.0212765957447], [-0.382978723404, 0.468085106383, 0.0212765957447], [-0.36170212766, 0.468085106383, 0.0212765957447], [-0.340425531915, 0.468085106383, 0.0212765957447], [-0.31914893617, 0.468085106383, 0.0212765957447], [-0.297872340426, 0.468085106383, 0.0212765957447], [-0.276595744681, 0.468085106383, 0.0212765957447], [-0.255319148936, 0.468085106383, 0.0212765957447], [-0.489361702128, 0.489361702128, 0.0212765957447], [-0.468085106383, 0.489361702128, 0.0212765957447], [-0.446808510638, 0.489361702128, 0.0212765957447], [-0.425531914894, 0.489361702128, 0.0212765957447], [-0.404255319149, 0.489361702128, 0.0212765957447], [-0.382978723404, 0.489361702128, 0.0212765957447], [-0.36170212766, 0.489361702128, 0.0212765957447], [-0.340425531915, 0.489361702128, 0.0212765957447], [-0.31914893617, 0.489361702128, 0.0212765957447], [-0.297872340426, 0.489361702128, 0.0212765957447], [-0.276595744681, 0.489361702128, 0.0212765957447], [-0.255319148936, 0.489361702128, 0.0212765957447], [-0.489361702128, -0.489361702128, 0.0212765957447], [-0.468085106383, -0.489361702128, 0.0212765957447], [-0.446808510638, -0.489361702128, 0.0212765957447], [-0.425531914894, -0.489361702128, 0.0212765957447], [-0.404255319149, -0.489361702128, 0.0212765957447], [-0.382978723404, -0.489361702128, 0.0212765957447], [-0.36170212766, -0.489361702128, 0.0212765957447], [-0.340425531915, -0.489361702128, 0.0212765957447], [-0.31914893617, -0.489361702128, 0.0212765957447], [-0.297872340426, -0.489361702128, 0.0212765957447], [-0.276595744681, -0.489361702128, 0.0212765957447], [-0.468085106383, -0.468085106383, 0.0212765957447], [-0.446808510638, -0.468085106383, 0.0212765957447], [-0.425531914894, -0.468085106383, 0.0212765957447], [-0.404255319149, -0.468085106383, 0.0212765957447], [-0.382978723404, -0.468085106383, 0.0212765957447], [-0.36170212766, -0.468085106383, 0.0212765957447], [-0.340425531915, -0.468085106383, 0.0212765957447], [-0.31914893617, -0.468085106383, 0.0212765957447], [-0.297872340426, -0.468085106383, 0.0212765957447], [-0.276595744681, -0.468085106383, 0.0212765957447], [-0.446808510638, -0.446808510638, 0.0212765957447], [-0.425531914894, -0.446808510638, 0.0212765957447], [-0.404255319149, -0.446808510638, 0.0212765957447], [-0.382978723404, -0.446808510638, 0.0212765957447], [-0.36170212766, -0.446808510638, 0.0212765957447], [-0.340425531915, -0.446808510638, 0.0212765957447], [-0.31914893617, -0.446808510638, 0.0212765957447], [-0.297872340426, -0.446808510638, 0.0212765957447], [-0.425531914894, -0.425531914894, 0.0212765957447], [-0.404255319149, -0.425531914894, 0.0212765957447], [-0.382978723404, -0.425531914894, 0.0212765957447], [-0.36170212766, -0.425531914894, 0.0212765957447], [-0.340425531915, -0.425531914894, 0.0212765957447], [-0.31914893617, -0.425531914894, 0.0212765957447], [-0.297872340426, -0.425531914894, 0.0212765957447], [-0.404255319149, -0.404255319149, 0.0212765957447], [-0.382978723404, -0.404255319149, 0.0212765957447], [-0.36170212766, -0.404255319149, 0.0212765957447], [-0.340425531915, -0.404255319149, 0.0212765957447], [-0.31914893617, -0.404255319149, 0.0212765957447], [-0.382978723404, -0.382978723404, 0.0212765957447], [-0.36170212766, -0.382978723404, 0.0212765957447], [-0.340425531915, -0.382978723404, 0.0212765957447], [-0.31914893617, -0.382978723404, 0.0212765957447], [-0.36170212766, -0.36170212766, 0.0212765957447], [-0.340425531915, -0.36170212766, 0.0212765957447], [-0.340425531915, -0.340425531915, 0.0212765957447], [0.0425531914894, 0.0425531914894, 0.0425531914894], [0.063829787234, 0.0425531914894, 0.0425531914894], [0.0851063829787, 0.0425531914894, 0.0425531914894], [0.106382978723, 0.0425531914894, 0.0425531914894], [0.127659574468, 0.0425531914894, 0.0425531914894], [0.148936170213, 0.0425531914894, 0.0425531914894], [0.170212765957, 0.0425531914894, 0.0425531914894], [0.191489361702, 0.0425531914894, 0.0425531914894], [0.212765957447, 0.0425531914894, 0.0425531914894], [0.234042553191, 0.0425531914894, 0.0425531914894], [0.255319148936, 0.0425531914894, 0.0425531914894], [0.276595744681, 0.0425531914894, 0.0425531914894], [0.297872340426, 0.0425531914894, 0.0425531914894], [0.31914893617, 0.0425531914894, 0.0425531914894], [0.340425531915, 0.0425531914894, 0.0425531914894], [0.36170212766, 0.0425531914894, 0.0425531914894], [0.382978723404, 0.0425531914894, 0.0425531914894], [0.404255319149, 0.0425531914894, 0.0425531914894], [0.425531914894, 0.0425531914894, 0.0425531914894], [0.446808510638, 0.0425531914894, 0.0425531914894], [-0.0425531914894, 0.0425531914894, 0.0425531914894], [0.063829787234, 0.063829787234, 0.0425531914894], [0.0851063829787, 0.063829787234, 0.0425531914894], [0.106382978723, 0.063829787234, 0.0425531914894], [0.127659574468, 0.063829787234, 0.0425531914894], [0.148936170213, 0.063829787234, 0.0425531914894], [0.170212765957, 0.063829787234, 0.0425531914894], [0.191489361702, 0.063829787234, 0.0425531914894], [0.212765957447, 0.063829787234, 0.0425531914894], [0.234042553191, 0.063829787234, 0.0425531914894], [0.255319148936, 0.063829787234, 0.0425531914894], [0.276595744681, 0.063829787234, 0.0425531914894], [0.297872340426, 0.063829787234, 0.0425531914894], [0.31914893617, 0.063829787234, 0.0425531914894], [0.340425531915, 0.063829787234, 0.0425531914894], [0.36170212766, 0.063829787234, 0.0425531914894], [0.382978723404, 0.063829787234, 0.0425531914894], [0.404255319149, 0.063829787234, 0.0425531914894], [0.425531914894, 0.063829787234, 0.0425531914894], [0.446808510638, 0.063829787234, 0.0425531914894], [-0.063829787234, 0.063829787234, 0.0425531914894], [0.0851063829787, 0.0851063829787, 0.0425531914894], [0.106382978723, 0.0851063829787, 0.0425531914894], [0.127659574468, 0.0851063829787, 0.0425531914894], [0.148936170213, 0.0851063829787, 0.0425531914894], [0.170212765957, 0.0851063829787, 0.0425531914894], [0.191489361702, 0.0851063829787, 0.0425531914894], [0.212765957447, 0.0851063829787, 0.0425531914894], [0.234042553191, 0.0851063829787, 0.0425531914894], [0.255319148936, 0.0851063829787, 0.0425531914894], [0.276595744681, 0.0851063829787, 0.0425531914894], [0.297872340426, 0.0851063829787, 0.0425531914894], [0.31914893617, 0.0851063829787, 0.0425531914894], [0.340425531915, 0.0851063829787, 0.0425531914894], [0.36170212766, 0.0851063829787, 0.0425531914894], [0.382978723404, 0.0851063829787, 0.0425531914894], [0.404255319149, 0.0851063829787, 0.0425531914894], [0.425531914894, 0.0851063829787, 0.0425531914894], [-0.0851063829787, 0.0851063829787, 0.0425531914894], [-0.063829787234, 0.0851063829787, 0.0425531914894], [0.106382978723, 0.106382978723, 0.0425531914894], [0.127659574468, 0.106382978723, 0.0425531914894], [0.148936170213, 0.106382978723, 0.0425531914894], [0.170212765957, 0.106382978723, 0.0425531914894], [0.191489361702, 0.106382978723, 0.0425531914894], [0.212765957447, 0.106382978723, 0.0425531914894], [0.234042553191, 0.106382978723, 0.0425531914894], [0.255319148936, 0.106382978723, 0.0425531914894], [0.276595744681, 0.106382978723, 0.0425531914894], [0.297872340426, 0.106382978723, 0.0425531914894], [0.31914893617, 0.106382978723, 0.0425531914894], [0.340425531915, 0.106382978723, 0.0425531914894], [0.36170212766, 0.106382978723, 0.0425531914894], [0.382978723404, 0.106382978723, 0.0425531914894], [0.404255319149, 0.106382978723, 0.0425531914894], [0.425531914894, 0.106382978723, 0.0425531914894], [-0.106382978723, 0.106382978723, 0.0425531914894], [-0.0851063829787, 0.106382978723, 0.0425531914894], [0.127659574468, 0.127659574468, 0.0425531914894], [0.148936170213, 0.127659574468, 0.0425531914894], [0.170212765957, 0.127659574468, 0.0425531914894], [0.191489361702, 0.127659574468, 0.0425531914894], [0.212765957447, 0.127659574468, 0.0425531914894], [0.234042553191, 0.127659574468, 0.0425531914894], [0.255319148936, 0.127659574468, 0.0425531914894], [0.276595744681, 0.127659574468, 0.0425531914894], [0.297872340426, 0.127659574468, 0.0425531914894], [0.31914893617, 0.127659574468, 0.0425531914894], [0.340425531915, 0.127659574468, 0.0425531914894], [0.36170212766, 0.127659574468, 0.0425531914894], [0.382978723404, 0.127659574468, 0.0425531914894], [0.404255319149, 0.127659574468, 0.0425531914894], [-0.127659574468, 0.127659574468, 0.0425531914894], [-0.106382978723, 0.127659574468, 0.0425531914894], [-0.0851063829787, 0.127659574468, 0.0425531914894], [0.148936170213, 0.148936170213, 0.0425531914894], [0.170212765957, 0.148936170213, 0.0425531914894], [0.191489361702, 0.148936170213, 0.0425531914894], [0.212765957447, 0.148936170213, 0.0425531914894], [0.234042553191, 0.148936170213, 0.0425531914894], [0.255319148936, 0.148936170213, 0.0425531914894], [0.276595744681, 0.148936170213, 0.0425531914894], [0.297872340426, 0.148936170213, 0.0425531914894], [0.31914893617, 0.148936170213, 0.0425531914894], [0.340425531915, 0.148936170213, 0.0425531914894], [0.36170212766, 0.148936170213, 0.0425531914894], [0.382978723404, 0.148936170213, 0.0425531914894], [0.404255319149, 0.148936170213, 0.0425531914894], [-0.148936170213, 0.148936170213, 0.0425531914894], [-0.127659574468, 0.148936170213, 0.0425531914894], [-0.106382978723, 0.148936170213, 0.0425531914894], [0.170212765957, 0.170212765957, 0.0425531914894], [0.191489361702, 0.170212765957, 0.0425531914894], [0.212765957447, 0.170212765957, 0.0425531914894], [0.234042553191, 0.170212765957, 0.0425531914894], [0.255319148936, 0.170212765957, 0.0425531914894], [0.276595744681, 0.170212765957, 0.0425531914894], [0.297872340426, 0.170212765957, 0.0425531914894], [0.31914893617, 0.170212765957, 0.0425531914894], [0.340425531915, 0.170212765957, 0.0425531914894], [0.36170212766, 0.170212765957, 0.0425531914894], [0.382978723404, 0.170212765957, 0.0425531914894], [-0.170212765957, 0.170212765957, 0.0425531914894], [-0.148936170213, 0.170212765957, 0.0425531914894], [-0.127659574468, 0.170212765957, 0.0425531914894], [-0.106382978723, 0.170212765957, 0.0425531914894], [0.191489361702, 0.191489361702, 0.0425531914894], [0.212765957447, 0.191489361702, 0.0425531914894], [0.234042553191, 0.191489361702, 0.0425531914894], [0.255319148936, 0.191489361702, 0.0425531914894], [0.276595744681, 0.191489361702, 0.0425531914894], [0.297872340426, 0.191489361702, 0.0425531914894], [0.31914893617, 0.191489361702, 0.0425531914894], [0.340425531915, 0.191489361702, 0.0425531914894], [0.36170212766, 0.191489361702, 0.0425531914894], [0.382978723404, 0.191489361702, 0.0425531914894], [-0.191489361702, 0.191489361702, 0.0425531914894], [-0.170212765957, 0.191489361702, 0.0425531914894], [-0.148936170213, 0.191489361702, 0.0425531914894], [-0.127659574468, 0.191489361702, 0.0425531914894], [0.212765957447, 0.212765957447, 0.0425531914894], [0.234042553191, 0.212765957447, 0.0425531914894], [0.255319148936, 0.212765957447, 0.0425531914894], [0.276595744681, 0.212765957447, 0.0425531914894], [0.297872340426, 0.212765957447, 0.0425531914894], [0.31914893617, 0.212765957447, 0.0425531914894], [0.340425531915, 0.212765957447, 0.0425531914894], [0.36170212766, 0.212765957447, 0.0425531914894], [-0.212765957447, 0.212765957447, 0.0425531914894], [-0.191489361702, 0.212765957447, 0.0425531914894], [-0.170212765957, 0.212765957447, 0.0425531914894], [-0.148936170213, 0.212765957447, 0.0425531914894], [-0.127659574468, 0.212765957447, 0.0425531914894], [0.234042553191, 0.234042553191, 0.0425531914894], [0.255319148936, 0.234042553191, 0.0425531914894], [0.276595744681, 0.234042553191, 0.0425531914894], [0.297872340426, 0.234042553191, 0.0425531914894], [0.31914893617, 0.234042553191, 0.0425531914894], [0.340425531915, 0.234042553191, 0.0425531914894], [0.36170212766, 0.234042553191, 0.0425531914894], [-0.234042553191, 0.234042553191, 0.0425531914894], [-0.212765957447, 0.234042553191, 0.0425531914894], [-0.191489361702, 0.234042553191, 0.0425531914894], [-0.170212765957, 0.234042553191, 0.0425531914894], [-0.148936170213, 0.234042553191, 0.0425531914894], [0.255319148936, 0.255319148936, 0.0425531914894], [0.276595744681, 0.255319148936, 0.0425531914894], [0.297872340426, 0.255319148936, 0.0425531914894], [0.31914893617, 0.255319148936, 0.0425531914894], [0.340425531915, 0.255319148936, 0.0425531914894], [-0.255319148936, 0.255319148936, 0.0425531914894], [-0.234042553191, 0.255319148936, 0.0425531914894], [-0.212765957447, 0.255319148936, 0.0425531914894], [-0.191489361702, 0.255319148936, 0.0425531914894], [-0.170212765957, 0.255319148936, 0.0425531914894], [-0.148936170213, 0.255319148936, 0.0425531914894], [0.276595744681, 0.276595744681, 0.0425531914894], [0.297872340426, 0.276595744681, 0.0425531914894], [0.31914893617, 0.276595744681, 0.0425531914894], [0.340425531915, 0.276595744681, 0.0425531914894], [-0.276595744681, 0.276595744681, 0.0425531914894], [-0.255319148936, 0.276595744681, 0.0425531914894], [-0.234042553191, 0.276595744681, 0.0425531914894], [-0.212765957447, 0.276595744681, 0.0425531914894], [-0.191489361702, 0.276595744681, 0.0425531914894], [-0.170212765957, 0.276595744681, 0.0425531914894], [0.297872340426, 0.297872340426, 0.0425531914894], [0.31914893617, 0.297872340426, 0.0425531914894], [-0.297872340426, 0.297872340426, 0.0425531914894], [-0.276595744681, 0.297872340426, 0.0425531914894], [-0.255319148936, 0.297872340426, 0.0425531914894], [-0.234042553191, 0.297872340426, 0.0425531914894], [-0.212765957447, 0.297872340426, 0.0425531914894], [-0.191489361702, 0.297872340426, 0.0425531914894], [-0.170212765957, 0.297872340426, 0.0425531914894], [0.31914893617, 0.31914893617, 0.0425531914894], [-0.31914893617, 0.31914893617, 0.0425531914894], [-0.297872340426, 0.31914893617, 0.0425531914894], [-0.276595744681, 0.31914893617, 0.0425531914894], [-0.255319148936, 0.31914893617, 0.0425531914894], [-0.234042553191, 0.31914893617, 0.0425531914894], [-0.212765957447, 0.31914893617, 0.0425531914894], [-0.191489361702, 0.31914893617, 0.0425531914894], [-0.340425531915, 0.340425531915, 0.0425531914894], [-0.31914893617, 0.340425531915, 0.0425531914894], [-0.297872340426, 0.340425531915, 0.0425531914894], [-0.276595744681, 0.340425531915, 0.0425531914894], [-0.255319148936, 0.340425531915, 0.0425531914894], [-0.234042553191, 0.340425531915, 0.0425531914894], [-0.212765957447, 0.340425531915, 0.0425531914894], [-0.191489361702, 0.340425531915, 0.0425531914894], [-0.36170212766, 0.36170212766, 0.0425531914894], [-0.340425531915, 0.36170212766, 0.0425531914894], [-0.31914893617, 0.36170212766, 0.0425531914894], [-0.297872340426, 0.36170212766, 0.0425531914894], [-0.276595744681, 0.36170212766, 0.0425531914894], [-0.255319148936, 0.36170212766, 0.0425531914894], [-0.234042553191, 0.36170212766, 0.0425531914894], [-0.212765957447, 0.36170212766, 0.0425531914894], [-0.382978723404, 0.382978723404, 0.0425531914894], [-0.36170212766, 0.382978723404, 0.0425531914894], [-0.340425531915, 0.382978723404, 0.0425531914894], [-0.31914893617, 0.382978723404, 0.0425531914894], [-0.297872340426, 0.382978723404, 0.0425531914894], [-0.276595744681, 0.382978723404, 0.0425531914894], [-0.255319148936, 0.382978723404, 0.0425531914894], [-0.234042553191, 0.382978723404, 0.0425531914894], [-0.212765957447, 0.382978723404, 0.0425531914894], [-0.404255319149, 0.404255319149, 0.0425531914894], [-0.382978723404, 0.404255319149, 0.0425531914894], [-0.36170212766, 0.404255319149, 0.0425531914894], [-0.340425531915, 0.404255319149, 0.0425531914894], [-0.31914893617, 0.404255319149, 0.0425531914894], [-0.297872340426, 0.404255319149, 0.0425531914894], [-0.276595744681, 0.404255319149, 0.0425531914894], [-0.255319148936, 0.404255319149, 0.0425531914894], [-0.234042553191, 0.404255319149, 0.0425531914894], [-0.425531914894, 0.425531914894, 0.0425531914894], [-0.404255319149, 0.425531914894, 0.0425531914894], [-0.382978723404, 0.425531914894, 0.0425531914894], [-0.36170212766, 0.425531914894, 0.0425531914894], [-0.340425531915, 0.425531914894, 0.0425531914894], [-0.31914893617, 0.425531914894, 0.0425531914894], [-0.297872340426, 0.425531914894, 0.0425531914894], [-0.276595744681, 0.425531914894, 0.0425531914894], [-0.255319148936, 0.425531914894, 0.0425531914894], [-0.234042553191, 0.425531914894, 0.0425531914894], [-0.446808510638, 0.446808510638, 0.0425531914894], [-0.425531914894, 0.446808510638, 0.0425531914894], [-0.404255319149, 0.446808510638, 0.0425531914894], [-0.382978723404, 0.446808510638, 0.0425531914894], [-0.36170212766, 0.446808510638, 0.0425531914894], [-0.340425531915, 0.446808510638, 0.0425531914894], [-0.31914893617, 0.446808510638, 0.0425531914894], [-0.297872340426, 0.446808510638, 0.0425531914894], [-0.276595744681, 0.446808510638, 0.0425531914894], [-0.255319148936, 0.446808510638, 0.0425531914894], [-0.468085106383, 0.468085106383, 0.0425531914894], [-0.446808510638, 0.468085106383, 0.0425531914894], [-0.425531914894, 0.468085106383, 0.0425531914894], [-0.404255319149, 0.468085106383, 0.0425531914894], [-0.382978723404, 0.468085106383, 0.0425531914894], [-0.36170212766, 0.468085106383, 0.0425531914894], [-0.340425531915, 0.468085106383, 0.0425531914894], [-0.31914893617, 0.468085106383, 0.0425531914894], [-0.297872340426, 0.468085106383, 0.0425531914894], [-0.276595744681, 0.468085106383, 0.0425531914894], [-0.255319148936, 0.468085106383, 0.0425531914894], [-0.489361702128, 0.489361702128, 0.0425531914894], [-0.468085106383, 0.489361702128, 0.0425531914894], [-0.446808510638, 0.489361702128, 0.0425531914894], [-0.425531914894, 0.489361702128, 0.0425531914894], [-0.404255319149, 0.489361702128, 0.0425531914894], [-0.382978723404, 0.489361702128, 0.0425531914894], [-0.36170212766, 0.489361702128, 0.0425531914894], [-0.340425531915, 0.489361702128, 0.0425531914894], [-0.31914893617, 0.489361702128, 0.0425531914894], [-0.297872340426, 0.489361702128, 0.0425531914894], [-0.276595744681, 0.489361702128, 0.0425531914894], [-0.489361702128, -0.489361702128, 0.0425531914894], [-0.468085106383, -0.489361702128, 0.0425531914894], [-0.446808510638, -0.489361702128, 0.0425531914894], [-0.425531914894, -0.489361702128, 0.0425531914894], [-0.404255319149, -0.489361702128, 0.0425531914894], [-0.382978723404, -0.489361702128, 0.0425531914894], [-0.36170212766, -0.489361702128, 0.0425531914894], [-0.340425531915, -0.489361702128, 0.0425531914894], [-0.31914893617, -0.489361702128, 0.0425531914894], [-0.297872340426, -0.489361702128, 0.0425531914894], [-0.276595744681, -0.489361702128, 0.0425531914894], [-0.468085106383, -0.468085106383, 0.0425531914894], [-0.446808510638, -0.468085106383, 0.0425531914894], [-0.425531914894, -0.468085106383, 0.0425531914894], [-0.404255319149, -0.468085106383, 0.0425531914894], [-0.382978723404, -0.468085106383, 0.0425531914894], [-0.36170212766, -0.468085106383, 0.0425531914894], [-0.340425531915, -0.468085106383, 0.0425531914894], [-0.31914893617, -0.468085106383, 0.0425531914894], [-0.297872340426, -0.468085106383, 0.0425531914894], [-0.446808510638, -0.446808510638, 0.0425531914894], [-0.425531914894, -0.446808510638, 0.0425531914894], [-0.404255319149, -0.446808510638, 0.0425531914894], [-0.382978723404, -0.446808510638, 0.0425531914894], [-0.36170212766, -0.446808510638, 0.0425531914894], [-0.340425531915, -0.446808510638, 0.0425531914894], [-0.31914893617, -0.446808510638, 0.0425531914894], [-0.297872340426, -0.446808510638, 0.0425531914894], [-0.425531914894, -0.425531914894, 0.0425531914894], [-0.404255319149, -0.425531914894, 0.0425531914894], [-0.382978723404, -0.425531914894, 0.0425531914894], [-0.36170212766, -0.425531914894, 0.0425531914894], [-0.340425531915, -0.425531914894, 0.0425531914894], [-0.31914893617, -0.425531914894, 0.0425531914894], [-0.404255319149, -0.404255319149, 0.0425531914894], [-0.382978723404, -0.404255319149, 0.0425531914894], [-0.36170212766, -0.404255319149, 0.0425531914894], [-0.340425531915, -0.404255319149, 0.0425531914894], [-0.31914893617, -0.404255319149, 0.0425531914894], [-0.382978723404, -0.382978723404, 0.0425531914894], [-0.36170212766, -0.382978723404, 0.0425531914894], [-0.340425531915, -0.382978723404, 0.0425531914894], [-0.36170212766, -0.36170212766, 0.0425531914894], [-0.340425531915, -0.36170212766, 0.0425531914894], [0.063829787234, 0.063829787234, 0.063829787234], [0.0851063829787, 0.063829787234, 0.063829787234], [0.106382978723, 0.063829787234, 0.063829787234], [0.127659574468, 0.063829787234, 0.063829787234], [0.148936170213, 0.063829787234, 0.063829787234], [0.170212765957, 0.063829787234, 0.063829787234], [0.191489361702, 0.063829787234, 0.063829787234], [0.212765957447, 0.063829787234, 0.063829787234], [0.234042553191, 0.063829787234, 0.063829787234], [0.255319148936, 0.063829787234, 0.063829787234], [0.276595744681, 0.063829787234, 0.063829787234], [0.297872340426, 0.063829787234, 0.063829787234], [0.31914893617, 0.063829787234, 0.063829787234], [0.340425531915, 0.063829787234, 0.063829787234], [0.36170212766, 0.063829787234, 0.063829787234], [0.382978723404, 0.063829787234, 0.063829787234], [0.404255319149, 0.063829787234, 0.063829787234], [0.425531914894, 0.063829787234, 0.063829787234], [-0.063829787234, 0.063829787234, 0.063829787234], [0.0851063829787, 0.0851063829787, 0.063829787234], [0.106382978723, 0.0851063829787, 0.063829787234], [0.127659574468, 0.0851063829787, 0.063829787234], [0.148936170213, 0.0851063829787, 0.063829787234], [0.170212765957, 0.0851063829787, 0.063829787234], [0.191489361702, 0.0851063829787, 0.063829787234], [0.212765957447, 0.0851063829787, 0.063829787234], [0.234042553191, 0.0851063829787, 0.063829787234], [0.255319148936, 0.0851063829787, 0.063829787234], [0.276595744681, 0.0851063829787, 0.063829787234], [0.297872340426, 0.0851063829787, 0.063829787234], [0.31914893617, 0.0851063829787, 0.063829787234], [0.340425531915, 0.0851063829787, 0.063829787234], [0.36170212766, 0.0851063829787, 0.063829787234], [0.382978723404, 0.0851063829787, 0.063829787234], [0.404255319149, 0.0851063829787, 0.063829787234], [0.425531914894, 0.0851063829787, 0.063829787234], [-0.0851063829787, 0.0851063829787, 0.063829787234], [0.106382978723, 0.106382978723, 0.063829787234], [0.127659574468, 0.106382978723, 0.063829787234], [0.148936170213, 0.106382978723, 0.063829787234], [0.170212765957, 0.106382978723, 0.063829787234], [0.191489361702, 0.106382978723, 0.063829787234], [0.212765957447, 0.106382978723, 0.063829787234], [0.234042553191, 0.106382978723, 0.063829787234], [0.255319148936, 0.106382978723, 0.063829787234], [0.276595744681, 0.106382978723, 0.063829787234], [0.297872340426, 0.106382978723, 0.063829787234], [0.31914893617, 0.106382978723, 0.063829787234], [0.340425531915, 0.106382978723, 0.063829787234], [0.36170212766, 0.106382978723, 0.063829787234], [0.382978723404, 0.106382978723, 0.063829787234], [0.404255319149, 0.106382978723, 0.063829787234], [-0.106382978723, 0.106382978723, 0.063829787234], [-0.0851063829787, 0.106382978723, 0.063829787234], [0.127659574468, 0.127659574468, 0.063829787234], [0.148936170213, 0.127659574468, 0.063829787234], [0.170212765957, 0.127659574468, 0.063829787234], [0.191489361702, 0.127659574468, 0.063829787234], [0.212765957447, 0.127659574468, 0.063829787234], [0.234042553191, 0.127659574468, 0.063829787234], [0.255319148936, 0.127659574468, 0.063829787234], [0.276595744681, 0.127659574468, 0.063829787234], [0.297872340426, 0.127659574468, 0.063829787234], [0.31914893617, 0.127659574468, 0.063829787234], [0.340425531915, 0.127659574468, 0.063829787234], [0.36170212766, 0.127659574468, 0.063829787234], [0.382978723404, 0.127659574468, 0.063829787234], [0.404255319149, 0.127659574468, 0.063829787234], [-0.127659574468, 0.127659574468, 0.063829787234], [-0.106382978723, 0.127659574468, 0.063829787234], [0.148936170213, 0.148936170213, 0.063829787234], [0.170212765957, 0.148936170213, 0.063829787234], [0.191489361702, 0.148936170213, 0.063829787234], [0.212765957447, 0.148936170213, 0.063829787234], [0.234042553191, 0.148936170213, 0.063829787234], [0.255319148936, 0.148936170213, 0.063829787234], [0.276595744681, 0.148936170213, 0.063829787234], [0.297872340426, 0.148936170213, 0.063829787234], [0.31914893617, 0.148936170213, 0.063829787234], [0.340425531915, 0.148936170213, 0.063829787234], [0.36170212766, 0.148936170213, 0.063829787234], [0.382978723404, 0.148936170213, 0.063829787234], [-0.148936170213, 0.148936170213, 0.063829787234], [-0.127659574468, 0.148936170213, 0.063829787234], [-0.106382978723, 0.148936170213, 0.063829787234], [0.170212765957, 0.170212765957, 0.063829787234], [0.191489361702, 0.170212765957, 0.063829787234], [0.212765957447, 0.170212765957, 0.063829787234], [0.234042553191, 0.170212765957, 0.063829787234], [0.255319148936, 0.170212765957, 0.063829787234], [0.276595744681, 0.170212765957, 0.063829787234], [0.297872340426, 0.170212765957, 0.063829787234], [0.31914893617, 0.170212765957, 0.063829787234], [0.340425531915, 0.170212765957, 0.063829787234], [0.36170212766, 0.170212765957, 0.063829787234], [0.382978723404, 0.170212765957, 0.063829787234], [-0.170212765957, 0.170212765957, 0.063829787234], [-0.148936170213, 0.170212765957, 0.063829787234], [-0.127659574468, 0.170212765957, 0.063829787234], [0.191489361702, 0.191489361702, 0.063829787234], [0.212765957447, 0.191489361702, 0.063829787234], [0.234042553191, 0.191489361702, 0.063829787234], [0.255319148936, 0.191489361702, 0.063829787234], [0.276595744681, 0.191489361702, 0.063829787234], [0.297872340426, 0.191489361702, 0.063829787234], [0.31914893617, 0.191489361702, 0.063829787234], [0.340425531915, 0.191489361702, 0.063829787234], [0.36170212766, 0.191489361702, 0.063829787234], [-0.191489361702, 0.191489361702, 0.063829787234], [-0.170212765957, 0.191489361702, 0.063829787234], [-0.148936170213, 0.191489361702, 0.063829787234], [-0.127659574468, 0.191489361702, 0.063829787234], [0.212765957447, 0.212765957447, 0.063829787234], [0.234042553191, 0.212765957447, 0.063829787234], [0.255319148936, 0.212765957447, 0.063829787234], [0.276595744681, 0.212765957447, 0.063829787234], [0.297872340426, 0.212765957447, 0.063829787234], [0.31914893617, 0.212765957447, 0.063829787234], [0.340425531915, 0.212765957447, 0.063829787234], [0.36170212766, 0.212765957447, 0.063829787234], [-0.212765957447, 0.212765957447, 0.063829787234], [-0.191489361702, 0.212765957447, 0.063829787234], [-0.170212765957, 0.212765957447, 0.063829787234], [-0.148936170213, 0.212765957447, 0.063829787234], [0.234042553191, 0.234042553191, 0.063829787234], [0.255319148936, 0.234042553191, 0.063829787234], [0.276595744681, 0.234042553191, 0.063829787234], [0.297872340426, 0.234042553191, 0.063829787234], [0.31914893617, 0.234042553191, 0.063829787234], [0.340425531915, 0.234042553191, 0.063829787234], [-0.234042553191, 0.234042553191, 0.063829787234], [-0.212765957447, 0.234042553191, 0.063829787234], [-0.191489361702, 0.234042553191, 0.063829787234], [-0.170212765957, 0.234042553191, 0.063829787234], [-0.148936170213, 0.234042553191, 0.063829787234], [0.255319148936, 0.255319148936, 0.063829787234], [0.276595744681, 0.255319148936, 0.063829787234], [0.297872340426, 0.255319148936, 0.063829787234], [0.31914893617, 0.255319148936, 0.063829787234], [0.340425531915, 0.255319148936, 0.063829787234], [-0.255319148936, 0.255319148936, 0.063829787234], [-0.234042553191, 0.255319148936, 0.063829787234], [-0.212765957447, 0.255319148936, 0.063829787234], [-0.191489361702, 0.255319148936, 0.063829787234], [-0.170212765957, 0.255319148936, 0.063829787234], [0.276595744681, 0.276595744681, 0.063829787234], [0.297872340426, 0.276595744681, 0.063829787234], [0.31914893617, 0.276595744681, 0.063829787234], [-0.276595744681, 0.276595744681, 0.063829787234], [-0.255319148936, 0.276595744681, 0.063829787234], [-0.234042553191, 0.276595744681, 0.063829787234], [-0.212765957447, 0.276595744681, 0.063829787234], [-0.191489361702, 0.276595744681, 0.063829787234], [-0.170212765957, 0.276595744681, 0.063829787234], [0.297872340426, 0.297872340426, 0.063829787234], [0.31914893617, 0.297872340426, 0.063829787234], [-0.297872340426, 0.297872340426, 0.063829787234], [-0.276595744681, 0.297872340426, 0.063829787234], [-0.255319148936, 0.297872340426, 0.063829787234], [-0.234042553191, 0.297872340426, 0.063829787234], [-0.212765957447, 0.297872340426, 0.063829787234], [-0.191489361702, 0.297872340426, 0.063829787234], [-0.31914893617, 0.31914893617, 0.063829787234], [-0.297872340426, 0.31914893617, 0.063829787234], [-0.276595744681, 0.31914893617, 0.063829787234], [-0.255319148936, 0.31914893617, 0.063829787234], [-0.234042553191, 0.31914893617, 0.063829787234], [-0.212765957447, 0.31914893617, 0.063829787234], [-0.191489361702, 0.31914893617, 0.063829787234], [-0.340425531915, 0.340425531915, 0.063829787234], [-0.31914893617, 0.340425531915, 0.063829787234], [-0.297872340426, 0.340425531915, 0.063829787234], [-0.276595744681, 0.340425531915, 0.063829787234], [-0.255319148936, 0.340425531915, 0.063829787234], [-0.234042553191, 0.340425531915, 0.063829787234], [-0.212765957447, 0.340425531915, 0.063829787234], [-0.36170212766, 0.36170212766, 0.063829787234], [-0.340425531915, 0.36170212766, 0.063829787234], [-0.31914893617, 0.36170212766, 0.063829787234], [-0.297872340426, 0.36170212766, 0.063829787234], [-0.276595744681, 0.36170212766, 0.063829787234], [-0.255319148936, 0.36170212766, 0.063829787234], [-0.234042553191, 0.36170212766, 0.063829787234], [-0.212765957447, 0.36170212766, 0.063829787234], [-0.382978723404, 0.382978723404, 0.063829787234], [-0.36170212766, 0.382978723404, 0.063829787234], [-0.340425531915, 0.382978723404, 0.063829787234], [-0.31914893617, 0.382978723404, 0.063829787234], [-0.297872340426, 0.382978723404, 0.063829787234], [-0.276595744681, 0.382978723404, 0.063829787234], [-0.255319148936, 0.382978723404, 0.063829787234], [-0.234042553191, 0.382978723404, 0.063829787234], [-0.404255319149, 0.404255319149, 0.063829787234], [-0.382978723404, 0.404255319149, 0.063829787234], [-0.36170212766, 0.404255319149, 0.063829787234], [-0.340425531915, 0.404255319149, 0.063829787234], [-0.31914893617, 0.404255319149, 0.063829787234], [-0.297872340426, 0.404255319149, 0.063829787234], [-0.276595744681, 0.404255319149, 0.063829787234], [-0.255319148936, 0.404255319149, 0.063829787234], [-0.234042553191, 0.404255319149, 0.063829787234], [-0.425531914894, 0.425531914894, 0.063829787234], [-0.404255319149, 0.425531914894, 0.063829787234], [-0.382978723404, 0.425531914894, 0.063829787234], [-0.36170212766, 0.425531914894, 0.063829787234], [-0.340425531915, 0.425531914894, 0.063829787234], [-0.31914893617, 0.425531914894, 0.063829787234], [-0.297872340426, 0.425531914894, 0.063829787234], [-0.276595744681, 0.425531914894, 0.063829787234], [-0.255319148936, 0.425531914894, 0.063829787234], [-0.446808510638, 0.446808510638, 0.063829787234], [-0.425531914894, 0.446808510638, 0.063829787234], [-0.404255319149, 0.446808510638, 0.063829787234], [-0.382978723404, 0.446808510638, 0.063829787234], [-0.36170212766, 0.446808510638, 0.063829787234], [-0.340425531915, 0.446808510638, 0.063829787234], [-0.31914893617, 0.446808510638, 0.063829787234], [-0.297872340426, 0.446808510638, 0.063829787234], [-0.276595744681, 0.446808510638, 0.063829787234], [-0.255319148936, 0.446808510638, 0.063829787234], [-0.468085106383, 0.468085106383, 0.063829787234], [-0.446808510638, 0.468085106383, 0.063829787234], [-0.425531914894, 0.468085106383, 0.063829787234], [-0.404255319149, 0.468085106383, 0.063829787234], [-0.382978723404, 0.468085106383, 0.063829787234], [-0.36170212766, 0.468085106383, 0.063829787234], [-0.340425531915, 0.468085106383, 0.063829787234], [-0.31914893617, 0.468085106383, 0.063829787234], [-0.297872340426, 0.468085106383, 0.063829787234], [-0.276595744681, 0.468085106383, 0.063829787234], [-0.489361702128, 0.489361702128, 0.063829787234], [-0.468085106383, 0.489361702128, 0.063829787234], [-0.446808510638, 0.489361702128, 0.063829787234], [-0.425531914894, 0.489361702128, 0.063829787234], [-0.404255319149, 0.489361702128, 0.063829787234], [-0.382978723404, 0.489361702128, 0.063829787234], [-0.36170212766, 0.489361702128, 0.063829787234], [-0.340425531915, 0.489361702128, 0.063829787234], [-0.31914893617, 0.489361702128, 0.063829787234], [-0.297872340426, 0.489361702128, 0.063829787234], [-0.276595744681, 0.489361702128, 0.063829787234], [-0.489361702128, -0.489361702128, 0.063829787234], [-0.468085106383, -0.489361702128, 0.063829787234], [-0.446808510638, -0.489361702128, 0.063829787234], [-0.425531914894, -0.489361702128, 0.063829787234], [-0.404255319149, -0.489361702128, 0.063829787234], [-0.382978723404, -0.489361702128, 0.063829787234], [-0.36170212766, -0.489361702128, 0.063829787234], [-0.340425531915, -0.489361702128, 0.063829787234], [-0.31914893617, -0.489361702128, 0.063829787234], [-0.297872340426, -0.489361702128, 0.063829787234], [-0.468085106383, -0.468085106383, 0.063829787234], [-0.446808510638, -0.468085106383, 0.063829787234], [-0.425531914894, -0.468085106383, 0.063829787234], [-0.404255319149, -0.468085106383, 0.063829787234], [-0.382978723404, -0.468085106383, 0.063829787234], [-0.36170212766, -0.468085106383, 0.063829787234], [-0.340425531915, -0.468085106383, 0.063829787234], [-0.31914893617, -0.468085106383, 0.063829787234], [-0.297872340426, -0.468085106383, 0.063829787234], [-0.446808510638, -0.446808510638, 0.063829787234], [-0.425531914894, -0.446808510638, 0.063829787234], [-0.404255319149, -0.446808510638, 0.063829787234], [-0.382978723404, -0.446808510638, 0.063829787234], [-0.36170212766, -0.446808510638, 0.063829787234], [-0.340425531915, -0.446808510638, 0.063829787234], [-0.31914893617, -0.446808510638, 0.063829787234], [-0.425531914894, -0.425531914894, 0.063829787234], [-0.404255319149, -0.425531914894, 0.063829787234], [-0.382978723404, -0.425531914894, 0.063829787234], [-0.36170212766, -0.425531914894, 0.063829787234], [-0.340425531915, -0.425531914894, 0.063829787234], [-0.31914893617, -0.425531914894, 0.063829787234], [-0.404255319149, -0.404255319149, 0.063829787234], [-0.382978723404, -0.404255319149, 0.063829787234], [-0.36170212766, -0.404255319149, 0.063829787234], [-0.340425531915, -0.404255319149, 0.063829787234], [-0.382978723404, -0.382978723404, 0.063829787234], [-0.36170212766, -0.382978723404, 0.063829787234], [-0.340425531915, -0.382978723404, 0.063829787234], [-0.36170212766, -0.36170212766, 0.063829787234], [0.0851063829787, 0.0851063829787, 0.0851063829787], [0.106382978723, 0.0851063829787, 0.0851063829787], [0.127659574468, 0.0851063829787, 0.0851063829787], [0.148936170213, 0.0851063829787, 0.0851063829787], [0.170212765957, 0.0851063829787, 0.0851063829787], [0.191489361702, 0.0851063829787, 0.0851063829787], [0.212765957447, 0.0851063829787, 0.0851063829787], [0.234042553191, 0.0851063829787, 0.0851063829787], [0.255319148936, 0.0851063829787, 0.0851063829787], [0.276595744681, 0.0851063829787, 0.0851063829787], [0.297872340426, 0.0851063829787, 0.0851063829787], [0.31914893617, 0.0851063829787, 0.0851063829787], [0.340425531915, 0.0851063829787, 0.0851063829787], [0.36170212766, 0.0851063829787, 0.0851063829787], [0.382978723404, 0.0851063829787, 0.0851063829787], [0.404255319149, 0.0851063829787, 0.0851063829787], [-0.0851063829787, 0.0851063829787, 0.0851063829787], [0.106382978723, 0.106382978723, 0.0851063829787], [0.127659574468, 0.106382978723, 0.0851063829787], [0.148936170213, 0.106382978723, 0.0851063829787], [0.170212765957, 0.106382978723, 0.0851063829787], [0.191489361702, 0.106382978723, 0.0851063829787], [0.212765957447, 0.106382978723, 0.0851063829787], [0.234042553191, 0.106382978723, 0.0851063829787], [0.255319148936, 0.106382978723, 0.0851063829787], [0.276595744681, 0.106382978723, 0.0851063829787], [0.297872340426, 0.106382978723, 0.0851063829787], [0.31914893617, 0.106382978723, 0.0851063829787], [0.340425531915, 0.106382978723, 0.0851063829787], [0.36170212766, 0.106382978723, 0.0851063829787], [0.382978723404, 0.106382978723, 0.0851063829787], [0.404255319149, 0.106382978723, 0.0851063829787], [-0.106382978723, 0.106382978723, 0.0851063829787], [0.127659574468, 0.127659574468, 0.0851063829787], [0.148936170213, 0.127659574468, 0.0851063829787], [0.170212765957, 0.127659574468, 0.0851063829787], [0.191489361702, 0.127659574468, 0.0851063829787], [0.212765957447, 0.127659574468, 0.0851063829787], [0.234042553191, 0.127659574468, 0.0851063829787], [0.255319148936, 0.127659574468, 0.0851063829787], [0.276595744681, 0.127659574468, 0.0851063829787], [0.297872340426, 0.127659574468, 0.0851063829787], [0.31914893617, 0.127659574468, 0.0851063829787], [0.340425531915, 0.127659574468, 0.0851063829787], [0.36170212766, 0.127659574468, 0.0851063829787], [0.382978723404, 0.127659574468, 0.0851063829787], [-0.127659574468, 0.127659574468, 0.0851063829787], [-0.106382978723, 0.127659574468, 0.0851063829787], [0.148936170213, 0.148936170213, 0.0851063829787], [0.170212765957, 0.148936170213, 0.0851063829787], [0.191489361702, 0.148936170213, 0.0851063829787], [0.212765957447, 0.148936170213, 0.0851063829787], [0.234042553191, 0.148936170213, 0.0851063829787], [0.255319148936, 0.148936170213, 0.0851063829787], [0.276595744681, 0.148936170213, 0.0851063829787], [0.297872340426, 0.148936170213, 0.0851063829787], [0.31914893617, 0.148936170213, 0.0851063829787], [0.340425531915, 0.148936170213, 0.0851063829787], [0.36170212766, 0.148936170213, 0.0851063829787], [0.382978723404, 0.148936170213, 0.0851063829787], [-0.148936170213, 0.148936170213, 0.0851063829787], [-0.127659574468, 0.148936170213, 0.0851063829787], [0.170212765957, 0.170212765957, 0.0851063829787], [0.191489361702, 0.170212765957, 0.0851063829787], [0.212765957447, 0.170212765957, 0.0851063829787], [0.234042553191, 0.170212765957, 0.0851063829787], [0.255319148936, 0.170212765957, 0.0851063829787], [0.276595744681, 0.170212765957, 0.0851063829787], [0.297872340426, 0.170212765957, 0.0851063829787], [0.31914893617, 0.170212765957, 0.0851063829787], [0.340425531915, 0.170212765957, 0.0851063829787], [0.36170212766, 0.170212765957, 0.0851063829787], [-0.170212765957, 0.170212765957, 0.0851063829787], [-0.148936170213, 0.170212765957, 0.0851063829787], [-0.127659574468, 0.170212765957, 0.0851063829787], [0.191489361702, 0.191489361702, 0.0851063829787], [0.212765957447, 0.191489361702, 0.0851063829787], [0.234042553191, 0.191489361702, 0.0851063829787], [0.255319148936, 0.191489361702, 0.0851063829787], [0.276595744681, 0.191489361702, 0.0851063829787], [0.297872340426, 0.191489361702, 0.0851063829787], [0.31914893617, 0.191489361702, 0.0851063829787], [0.340425531915, 0.191489361702, 0.0851063829787], [0.36170212766, 0.191489361702, 0.0851063829787], [-0.191489361702, 0.191489361702, 0.0851063829787], [-0.170212765957, 0.191489361702, 0.0851063829787], [-0.148936170213, 0.191489361702, 0.0851063829787], [0.212765957447, 0.212765957447, 0.0851063829787], [0.234042553191, 0.212765957447, 0.0851063829787], [0.255319148936, 0.212765957447, 0.0851063829787], [0.276595744681, 0.212765957447, 0.0851063829787], [0.297872340426, 0.212765957447, 0.0851063829787], [0.31914893617, 0.212765957447, 0.0851063829787], [0.340425531915, 0.212765957447, 0.0851063829787], [-0.212765957447, 0.212765957447, 0.0851063829787], [-0.191489361702, 0.212765957447, 0.0851063829787], [-0.170212765957, 0.212765957447, 0.0851063829787], [-0.148936170213, 0.212765957447, 0.0851063829787], [0.234042553191, 0.234042553191, 0.0851063829787], [0.255319148936, 0.234042553191, 0.0851063829787], [0.276595744681, 0.234042553191, 0.0851063829787], [0.297872340426, 0.234042553191, 0.0851063829787], [0.31914893617, 0.234042553191, 0.0851063829787], [0.340425531915, 0.234042553191, 0.0851063829787], [-0.234042553191, 0.234042553191, 0.0851063829787], [-0.212765957447, 0.234042553191, 0.0851063829787], [-0.191489361702, 0.234042553191, 0.0851063829787], [-0.170212765957, 0.234042553191, 0.0851063829787], [0.255319148936, 0.255319148936, 0.0851063829787], [0.276595744681, 0.255319148936, 0.0851063829787], [0.297872340426, 0.255319148936, 0.0851063829787], [0.31914893617, 0.255319148936, 0.0851063829787], [-0.255319148936, 0.255319148936, 0.0851063829787], [-0.234042553191, 0.255319148936, 0.0851063829787], [-0.212765957447, 0.255319148936, 0.0851063829787], [-0.191489361702, 0.255319148936, 0.0851063829787], [-0.170212765957, 0.255319148936, 0.0851063829787], [0.276595744681, 0.276595744681, 0.0851063829787], [0.297872340426, 0.276595744681, 0.0851063829787], [0.31914893617, 0.276595744681, 0.0851063829787], [-0.276595744681, 0.276595744681, 0.0851063829787], [-0.255319148936, 0.276595744681, 0.0851063829787], [-0.234042553191, 0.276595744681, 0.0851063829787], [-0.212765957447, 0.276595744681, 0.0851063829787], [-0.191489361702, 0.276595744681, 0.0851063829787], [0.297872340426, 0.297872340426, 0.0851063829787], [-0.297872340426, 0.297872340426, 0.0851063829787], [-0.276595744681, 0.297872340426, 0.0851063829787], [-0.255319148936, 0.297872340426, 0.0851063829787], [-0.234042553191, 0.297872340426, 0.0851063829787], [-0.212765957447, 0.297872340426, 0.0851063829787], [-0.191489361702, 0.297872340426, 0.0851063829787], [-0.31914893617, 0.31914893617, 0.0851063829787], [-0.297872340426, 0.31914893617, 0.0851063829787], [-0.276595744681, 0.31914893617, 0.0851063829787], [-0.255319148936, 0.31914893617, 0.0851063829787], [-0.234042553191, 0.31914893617, 0.0851063829787], [-0.212765957447, 0.31914893617, 0.0851063829787], [-0.340425531915, 0.340425531915, 0.0851063829787], [-0.31914893617, 0.340425531915, 0.0851063829787], [-0.297872340426, 0.340425531915, 0.0851063829787], [-0.276595744681, 0.340425531915, 0.0851063829787], [-0.255319148936, 0.340425531915, 0.0851063829787], [-0.234042553191, 0.340425531915, 0.0851063829787], [-0.212765957447, 0.340425531915, 0.0851063829787], [-0.36170212766, 0.36170212766, 0.0851063829787], [-0.340425531915, 0.36170212766, 0.0851063829787], [-0.31914893617, 0.36170212766, 0.0851063829787], [-0.297872340426, 0.36170212766, 0.0851063829787], [-0.276595744681, 0.36170212766, 0.0851063829787], [-0.255319148936, 0.36170212766, 0.0851063829787], [-0.234042553191, 0.36170212766, 0.0851063829787], [-0.382978723404, 0.382978723404, 0.0851063829787], [-0.36170212766, 0.382978723404, 0.0851063829787], [-0.340425531915, 0.382978723404, 0.0851063829787], [-0.31914893617, 0.382978723404, 0.0851063829787], [-0.297872340426, 0.382978723404, 0.0851063829787], [-0.276595744681, 0.382978723404, 0.0851063829787], [-0.255319148936, 0.382978723404, 0.0851063829787], [-0.234042553191, 0.382978723404, 0.0851063829787], [-0.404255319149, 0.404255319149, 0.0851063829787], [-0.382978723404, 0.404255319149, 0.0851063829787], [-0.36170212766, 0.404255319149, 0.0851063829787], [-0.340425531915, 0.404255319149, 0.0851063829787], [-0.31914893617, 0.404255319149, 0.0851063829787], [-0.297872340426, 0.404255319149, 0.0851063829787], [-0.276595744681, 0.404255319149, 0.0851063829787], [-0.255319148936, 0.404255319149, 0.0851063829787], [-0.425531914894, 0.425531914894, 0.0851063829787], [-0.404255319149, 0.425531914894, 0.0851063829787], [-0.382978723404, 0.425531914894, 0.0851063829787], [-0.36170212766, 0.425531914894, 0.0851063829787], [-0.340425531915, 0.425531914894, 0.0851063829787], [-0.31914893617, 0.425531914894, 0.0851063829787], [-0.297872340426, 0.425531914894, 0.0851063829787], [-0.276595744681, 0.425531914894, 0.0851063829787], [-0.255319148936, 0.425531914894, 0.0851063829787], [-0.446808510638, 0.446808510638, 0.0851063829787], [-0.425531914894, 0.446808510638, 0.0851063829787], [-0.404255319149, 0.446808510638, 0.0851063829787], [-0.382978723404, 0.446808510638, 0.0851063829787], [-0.36170212766, 0.446808510638, 0.0851063829787], [-0.340425531915, 0.446808510638, 0.0851063829787], [-0.31914893617, 0.446808510638, 0.0851063829787], [-0.297872340426, 0.446808510638, 0.0851063829787], [-0.276595744681, 0.446808510638, 0.0851063829787], [-0.468085106383, 0.468085106383, 0.0851063829787], [-0.446808510638, 0.468085106383, 0.0851063829787], [-0.425531914894, 0.468085106383, 0.0851063829787], [-0.404255319149, 0.468085106383, 0.0851063829787], [-0.382978723404, 0.468085106383, 0.0851063829787], [-0.36170212766, 0.468085106383, 0.0851063829787], [-0.340425531915, 0.468085106383, 0.0851063829787], [-0.31914893617, 0.468085106383, 0.0851063829787], [-0.297872340426, 0.468085106383, 0.0851063829787], [-0.276595744681, 0.468085106383, 0.0851063829787], [-0.489361702128, 0.489361702128, 0.0851063829787], [-0.468085106383, 0.489361702128, 0.0851063829787], [-0.446808510638, 0.489361702128, 0.0851063829787], [-0.425531914894, 0.489361702128, 0.0851063829787], [-0.404255319149, 0.489361702128, 0.0851063829787], [-0.382978723404, 0.489361702128, 0.0851063829787], [-0.36170212766, 0.489361702128, 0.0851063829787], [-0.340425531915, 0.489361702128, 0.0851063829787], [-0.31914893617, 0.489361702128, 0.0851063829787], [-0.297872340426, 0.489361702128, 0.0851063829787], [-0.489361702128, -0.489361702128, 0.0851063829787], [-0.468085106383, -0.489361702128, 0.0851063829787], [-0.446808510638, -0.489361702128, 0.0851063829787], [-0.425531914894, -0.489361702128, 0.0851063829787], [-0.404255319149, -0.489361702128, 0.0851063829787], [-0.382978723404, -0.489361702128, 0.0851063829787], [-0.36170212766, -0.489361702128, 0.0851063829787], [-0.340425531915, -0.489361702128, 0.0851063829787], [-0.31914893617, -0.489361702128, 0.0851063829787], [-0.297872340426, -0.489361702128, 0.0851063829787], [-0.468085106383, -0.468085106383, 0.0851063829787], [-0.446808510638, -0.468085106383, 0.0851063829787], [-0.425531914894, -0.468085106383, 0.0851063829787], [-0.404255319149, -0.468085106383, 0.0851063829787], [-0.382978723404, -0.468085106383, 0.0851063829787], [-0.36170212766, -0.468085106383, 0.0851063829787], [-0.340425531915, -0.468085106383, 0.0851063829787], [-0.31914893617, -0.468085106383, 0.0851063829787], [-0.446808510638, -0.446808510638, 0.0851063829787], [-0.425531914894, -0.446808510638, 0.0851063829787], [-0.404255319149, -0.446808510638, 0.0851063829787], [-0.382978723404, -0.446808510638, 0.0851063829787], [-0.36170212766, -0.446808510638, 0.0851063829787], [-0.340425531915, -0.446808510638, 0.0851063829787], [-0.31914893617, -0.446808510638, 0.0851063829787], [-0.425531914894, -0.425531914894, 0.0851063829787], [-0.404255319149, -0.425531914894, 0.0851063829787], [-0.382978723404, -0.425531914894, 0.0851063829787], [-0.36170212766, -0.425531914894, 0.0851063829787], [-0.340425531915, -0.425531914894, 0.0851063829787], [-0.404255319149, -0.404255319149, 0.0851063829787], [-0.382978723404, -0.404255319149, 0.0851063829787], [-0.36170212766, -0.404255319149, 0.0851063829787], [-0.340425531915, -0.404255319149, 0.0851063829787], [-0.382978723404, -0.382978723404, 0.0851063829787], [-0.36170212766, -0.382978723404, 0.0851063829787], [-0.36170212766, -0.36170212766, 0.0851063829787], [0.106382978723, 0.106382978723, 0.106382978723], [0.127659574468, 0.106382978723, 0.106382978723], [0.148936170213, 0.106382978723, 0.106382978723], [0.170212765957, 0.106382978723, 0.106382978723], [0.191489361702, 0.106382978723, 0.106382978723], [0.212765957447, 0.106382978723, 0.106382978723], [0.234042553191, 0.106382978723, 0.106382978723], [0.255319148936, 0.106382978723, 0.106382978723], [0.276595744681, 0.106382978723, 0.106382978723], [0.297872340426, 0.106382978723, 0.106382978723], [0.31914893617, 0.106382978723, 0.106382978723], [0.340425531915, 0.106382978723, 0.106382978723], [0.36170212766, 0.106382978723, 0.106382978723], [0.382978723404, 0.106382978723, 0.106382978723], [-0.106382978723, 0.106382978723, 0.106382978723], [0.127659574468, 0.127659574468, 0.106382978723], [0.148936170213, 0.127659574468, 0.106382978723], [0.170212765957, 0.127659574468, 0.106382978723], [0.191489361702, 0.127659574468, 0.106382978723], [0.212765957447, 0.127659574468, 0.106382978723], [0.234042553191, 0.127659574468, 0.106382978723], [0.255319148936, 0.127659574468, 0.106382978723], [0.276595744681, 0.127659574468, 0.106382978723], [0.297872340426, 0.127659574468, 0.106382978723], [0.31914893617, 0.127659574468, 0.106382978723], [0.340425531915, 0.127659574468, 0.106382978723], [0.36170212766, 0.127659574468, 0.106382978723], [0.382978723404, 0.127659574468, 0.106382978723], [-0.127659574468, 0.127659574468, 0.106382978723], [0.148936170213, 0.148936170213, 0.106382978723], [0.170212765957, 0.148936170213, 0.106382978723], [0.191489361702, 0.148936170213, 0.106382978723], [0.212765957447, 0.148936170213, 0.106382978723], [0.234042553191, 0.148936170213, 0.106382978723], [0.255319148936, 0.148936170213, 0.106382978723], [0.276595744681, 0.148936170213, 0.106382978723], [0.297872340426, 0.148936170213, 0.106382978723], [0.31914893617, 0.148936170213, 0.106382978723], [0.340425531915, 0.148936170213, 0.106382978723], [0.36170212766, 0.148936170213, 0.106382978723], [-0.148936170213, 0.148936170213, 0.106382978723], [-0.127659574468, 0.148936170213, 0.106382978723], [0.170212765957, 0.170212765957, 0.106382978723], [0.191489361702, 0.170212765957, 0.106382978723], [0.212765957447, 0.170212765957, 0.106382978723], [0.234042553191, 0.170212765957, 0.106382978723], [0.255319148936, 0.170212765957, 0.106382978723], [0.276595744681, 0.170212765957, 0.106382978723], [0.297872340426, 0.170212765957, 0.106382978723], [0.31914893617, 0.170212765957, 0.106382978723], [0.340425531915, 0.170212765957, 0.106382978723], [0.36170212766, 0.170212765957, 0.106382978723], [-0.170212765957, 0.170212765957, 0.106382978723], [-0.148936170213, 0.170212765957, 0.106382978723], [0.191489361702, 0.191489361702, 0.106382978723], [0.212765957447, 0.191489361702, 0.106382978723], [0.234042553191, 0.191489361702, 0.106382978723], [0.255319148936, 0.191489361702, 0.106382978723], [0.276595744681, 0.191489361702, 0.106382978723], [0.297872340426, 0.191489361702, 0.106382978723], [0.31914893617, 0.191489361702, 0.106382978723], [0.340425531915, 0.191489361702, 0.106382978723], [-0.191489361702, 0.191489361702, 0.106382978723], [-0.170212765957, 0.191489361702, 0.106382978723], [-0.148936170213, 0.191489361702, 0.106382978723], [0.212765957447, 0.212765957447, 0.106382978723], [0.234042553191, 0.212765957447, 0.106382978723], [0.255319148936, 0.212765957447, 0.106382978723], [0.276595744681, 0.212765957447, 0.106382978723], [0.297872340426, 0.212765957447, 0.106382978723], [0.31914893617, 0.212765957447, 0.106382978723], [0.340425531915, 0.212765957447, 0.106382978723], [-0.212765957447, 0.212765957447, 0.106382978723], [-0.191489361702, 0.212765957447, 0.106382978723], [-0.170212765957, 0.212765957447, 0.106382978723], [0.234042553191, 0.234042553191, 0.106382978723], [0.255319148936, 0.234042553191, 0.106382978723], [0.276595744681, 0.234042553191, 0.106382978723], [0.297872340426, 0.234042553191, 0.106382978723], [0.31914893617, 0.234042553191, 0.106382978723], [-0.234042553191, 0.234042553191, 0.106382978723], [-0.212765957447, 0.234042553191, 0.106382978723], [-0.191489361702, 0.234042553191, 0.106382978723], [-0.170212765957, 0.234042553191, 0.106382978723], [0.255319148936, 0.255319148936, 0.106382978723], [0.276595744681, 0.255319148936, 0.106382978723], [0.297872340426, 0.255319148936, 0.106382978723], [0.31914893617, 0.255319148936, 0.106382978723], [-0.255319148936, 0.255319148936, 0.106382978723], [-0.234042553191, 0.255319148936, 0.106382978723], [-0.212765957447, 0.255319148936, 0.106382978723], [-0.191489361702, 0.255319148936, 0.106382978723], [0.276595744681, 0.276595744681, 0.106382978723], [0.297872340426, 0.276595744681, 0.106382978723], [-0.276595744681, 0.276595744681, 0.106382978723], [-0.255319148936, 0.276595744681, 0.106382978723], [-0.234042553191, 0.276595744681, 0.106382978723], [-0.212765957447, 0.276595744681, 0.106382978723], [-0.191489361702, 0.276595744681, 0.106382978723], [0.297872340426, 0.297872340426, 0.106382978723], [-0.297872340426, 0.297872340426, 0.106382978723], [-0.276595744681, 0.297872340426, 0.106382978723], [-0.255319148936, 0.297872340426, 0.106382978723], [-0.234042553191, 0.297872340426, 0.106382978723], [-0.212765957447, 0.297872340426, 0.106382978723], [-0.31914893617, 0.31914893617, 0.106382978723], [-0.297872340426, 0.31914893617, 0.106382978723], [-0.276595744681, 0.31914893617, 0.106382978723], [-0.255319148936, 0.31914893617, 0.106382978723], [-0.234042553191, 0.31914893617, 0.106382978723], [-0.212765957447, 0.31914893617, 0.106382978723], [-0.340425531915, 0.340425531915, 0.106382978723], [-0.31914893617, 0.340425531915, 0.106382978723], [-0.297872340426, 0.340425531915, 0.106382978723], [-0.276595744681, 0.340425531915, 0.106382978723], [-0.255319148936, 0.340425531915, 0.106382978723], [-0.234042553191, 0.340425531915, 0.106382978723], [-0.36170212766, 0.36170212766, 0.106382978723], [-0.340425531915, 0.36170212766, 0.106382978723], [-0.31914893617, 0.36170212766, 0.106382978723], [-0.297872340426, 0.36170212766, 0.106382978723], [-0.276595744681, 0.36170212766, 0.106382978723], [-0.255319148936, 0.36170212766, 0.106382978723], [-0.234042553191, 0.36170212766, 0.106382978723], [-0.382978723404, 0.382978723404, 0.106382978723], [-0.36170212766, 0.382978723404, 0.106382978723], [-0.340425531915, 0.382978723404, 0.106382978723], [-0.31914893617, 0.382978723404, 0.106382978723], [-0.297872340426, 0.382978723404, 0.106382978723], [-0.276595744681, 0.382978723404, 0.106382978723], [-0.255319148936, 0.382978723404, 0.106382978723], [-0.404255319149, 0.404255319149, 0.106382978723], [-0.382978723404, 0.404255319149, 0.106382978723], [-0.36170212766, 0.404255319149, 0.106382978723], [-0.340425531915, 0.404255319149, 0.106382978723], [-0.31914893617, 0.404255319149, 0.106382978723], [-0.297872340426, 0.404255319149, 0.106382978723], [-0.276595744681, 0.404255319149, 0.106382978723], [-0.255319148936, 0.404255319149, 0.106382978723], [-0.425531914894, 0.425531914894, 0.106382978723], [-0.404255319149, 0.425531914894, 0.106382978723], [-0.382978723404, 0.425531914894, 0.106382978723], [-0.36170212766, 0.425531914894, 0.106382978723], [-0.340425531915, 0.425531914894, 0.106382978723], [-0.31914893617, 0.425531914894, 0.106382978723], [-0.297872340426, 0.425531914894, 0.106382978723], [-0.276595744681, 0.425531914894, 0.106382978723], [-0.446808510638, 0.446808510638, 0.106382978723], [-0.425531914894, 0.446808510638, 0.106382978723], [-0.404255319149, 0.446808510638, 0.106382978723], [-0.382978723404, 0.446808510638, 0.106382978723], [-0.36170212766, 0.446808510638, 0.106382978723], [-0.340425531915, 0.446808510638, 0.106382978723], [-0.31914893617, 0.446808510638, 0.106382978723], [-0.297872340426, 0.446808510638, 0.106382978723], [-0.276595744681, 0.446808510638, 0.106382978723], [-0.468085106383, 0.468085106383, 0.106382978723], [-0.446808510638, 0.468085106383, 0.106382978723], [-0.425531914894, 0.468085106383, 0.106382978723], [-0.404255319149, 0.468085106383, 0.106382978723], [-0.382978723404, 0.468085106383, 0.106382978723], [-0.36170212766, 0.468085106383, 0.106382978723], [-0.340425531915, 0.468085106383, 0.106382978723], [-0.31914893617, 0.468085106383, 0.106382978723], [-0.297872340426, 0.468085106383, 0.106382978723], [-0.489361702128, 0.489361702128, 0.106382978723], [-0.468085106383, 0.489361702128, 0.106382978723], [-0.446808510638, 0.489361702128, 0.106382978723], [-0.425531914894, 0.489361702128, 0.106382978723], [-0.404255319149, 0.489361702128, 0.106382978723], [-0.382978723404, 0.489361702128, 0.106382978723], [-0.36170212766, 0.489361702128, 0.106382978723], [-0.340425531915, 0.489361702128, 0.106382978723], [-0.31914893617, 0.489361702128, 0.106382978723], [-0.297872340426, 0.489361702128, 0.106382978723], [-0.489361702128, -0.489361702128, 0.106382978723], [-0.468085106383, -0.489361702128, 0.106382978723], [-0.446808510638, -0.489361702128, 0.106382978723], [-0.425531914894, -0.489361702128, 0.106382978723], [-0.404255319149, -0.489361702128, 0.106382978723], [-0.382978723404, -0.489361702128, 0.106382978723], [-0.36170212766, -0.489361702128, 0.106382978723], [-0.340425531915, -0.489361702128, 0.106382978723], [-0.31914893617, -0.489361702128, 0.106382978723], [-0.468085106383, -0.468085106383, 0.106382978723], [-0.446808510638, -0.468085106383, 0.106382978723], [-0.425531914894, -0.468085106383, 0.106382978723], [-0.404255319149, -0.468085106383, 0.106382978723], [-0.382978723404, -0.468085106383, 0.106382978723], [-0.36170212766, -0.468085106383, 0.106382978723], [-0.340425531915, -0.468085106383, 0.106382978723], [-0.31914893617, -0.468085106383, 0.106382978723], [-0.446808510638, -0.446808510638, 0.106382978723], [-0.425531914894, -0.446808510638, 0.106382978723], [-0.404255319149, -0.446808510638, 0.106382978723], [-0.382978723404, -0.446808510638, 0.106382978723], [-0.36170212766, -0.446808510638, 0.106382978723], [-0.340425531915, -0.446808510638, 0.106382978723], [-0.425531914894, -0.425531914894, 0.106382978723], [-0.404255319149, -0.425531914894, 0.106382978723], [-0.382978723404, -0.425531914894, 0.106382978723], [-0.36170212766, -0.425531914894, 0.106382978723], [-0.340425531915, -0.425531914894, 0.106382978723], [-0.404255319149, -0.404255319149, 0.106382978723], [-0.382978723404, -0.404255319149, 0.106382978723], [-0.36170212766, -0.404255319149, 0.106382978723], [-0.382978723404, -0.382978723404, 0.106382978723], [-0.36170212766, -0.382978723404, 0.106382978723], [0.127659574468, 0.127659574468, 0.127659574468], [0.148936170213, 0.127659574468, 0.127659574468], [0.170212765957, 0.127659574468, 0.127659574468], [0.191489361702, 0.127659574468, 0.127659574468], [0.212765957447, 0.127659574468, 0.127659574468], [0.234042553191, 0.127659574468, 0.127659574468], [0.255319148936, 0.127659574468, 0.127659574468], [0.276595744681, 0.127659574468, 0.127659574468], [0.297872340426, 0.127659574468, 0.127659574468], [0.31914893617, 0.127659574468, 0.127659574468], [0.340425531915, 0.127659574468, 0.127659574468], [0.36170212766, 0.127659574468, 0.127659574468], [-0.127659574468, 0.127659574468, 0.127659574468], [0.148936170213, 0.148936170213, 0.127659574468], [0.170212765957, 0.148936170213, 0.127659574468], [0.191489361702, 0.148936170213, 0.127659574468], [0.212765957447, 0.148936170213, 0.127659574468], [0.234042553191, 0.148936170213, 0.127659574468], [0.255319148936, 0.148936170213, 0.127659574468], [0.276595744681, 0.148936170213, 0.127659574468], [0.297872340426, 0.148936170213, 0.127659574468], [0.31914893617, 0.148936170213, 0.127659574468], [0.340425531915, 0.148936170213, 0.127659574468], [0.36170212766, 0.148936170213, 0.127659574468], [-0.148936170213, 0.148936170213, 0.127659574468], [0.170212765957, 0.170212765957, 0.127659574468], [0.191489361702, 0.170212765957, 0.127659574468], [0.212765957447, 0.170212765957, 0.127659574468], [0.234042553191, 0.170212765957, 0.127659574468], [0.255319148936, 0.170212765957, 0.127659574468], [0.276595744681, 0.170212765957, 0.127659574468], [0.297872340426, 0.170212765957, 0.127659574468], [0.31914893617, 0.170212765957, 0.127659574468], [0.340425531915, 0.170212765957, 0.127659574468], [-0.170212765957, 0.170212765957, 0.127659574468], [-0.148936170213, 0.170212765957, 0.127659574468], [0.191489361702, 0.191489361702, 0.127659574468], [0.212765957447, 0.191489361702, 0.127659574468], [0.234042553191, 0.191489361702, 0.127659574468], [0.255319148936, 0.191489361702, 0.127659574468], [0.276595744681, 0.191489361702, 0.127659574468], [0.297872340426, 0.191489361702, 0.127659574468], [0.31914893617, 0.191489361702, 0.127659574468], [0.340425531915, 0.191489361702, 0.127659574468], [-0.191489361702, 0.191489361702, 0.127659574468], [-0.170212765957, 0.191489361702, 0.127659574468], [0.212765957447, 0.212765957447, 0.127659574468], [0.234042553191, 0.212765957447, 0.127659574468], [0.255319148936, 0.212765957447, 0.127659574468], [0.276595744681, 0.212765957447, 0.127659574468], [0.297872340426, 0.212765957447, 0.127659574468], [0.31914893617, 0.212765957447, 0.127659574468], [-0.212765957447, 0.212765957447, 0.127659574468], [-0.191489361702, 0.212765957447, 0.127659574468], [-0.170212765957, 0.212765957447, 0.127659574468], [0.234042553191, 0.234042553191, 0.127659574468], [0.255319148936, 0.234042553191, 0.127659574468], [0.276595744681, 0.234042553191, 0.127659574468], [0.297872340426, 0.234042553191, 0.127659574468], [0.31914893617, 0.234042553191, 0.127659574468], [-0.234042553191, 0.234042553191, 0.127659574468], [-0.212765957447, 0.234042553191, 0.127659574468], [-0.191489361702, 0.234042553191, 0.127659574468], [0.255319148936, 0.255319148936, 0.127659574468], [0.276595744681, 0.255319148936, 0.127659574468], [0.297872340426, 0.255319148936, 0.127659574468], [-0.255319148936, 0.255319148936, 0.127659574468], [-0.234042553191, 0.255319148936, 0.127659574468], [-0.212765957447, 0.255319148936, 0.127659574468], [-0.191489361702, 0.255319148936, 0.127659574468], [0.276595744681, 0.276595744681, 0.127659574468], [0.297872340426, 0.276595744681, 0.127659574468], [-0.276595744681, 0.276595744681, 0.127659574468], [-0.255319148936, 0.276595744681, 0.127659574468], [-0.234042553191, 0.276595744681, 0.127659574468], [-0.212765957447, 0.276595744681, 0.127659574468], [-0.297872340426, 0.297872340426, 0.127659574468], [-0.276595744681, 0.297872340426, 0.127659574468], [-0.255319148936, 0.297872340426, 0.127659574468], [-0.234042553191, 0.297872340426, 0.127659574468], [-0.212765957447, 0.297872340426, 0.127659574468], [-0.31914893617, 0.31914893617, 0.127659574468], [-0.297872340426, 0.31914893617, 0.127659574468], [-0.276595744681, 0.31914893617, 0.127659574468], [-0.255319148936, 0.31914893617, 0.127659574468], [-0.234042553191, 0.31914893617, 0.127659574468], [-0.340425531915, 0.340425531915, 0.127659574468], [-0.31914893617, 0.340425531915, 0.127659574468], [-0.297872340426, 0.340425531915, 0.127659574468], [-0.276595744681, 0.340425531915, 0.127659574468], [-0.255319148936, 0.340425531915, 0.127659574468], [-0.234042553191, 0.340425531915, 0.127659574468], [-0.36170212766, 0.36170212766, 0.127659574468], [-0.340425531915, 0.36170212766, 0.127659574468], [-0.31914893617, 0.36170212766, 0.127659574468], [-0.297872340426, 0.36170212766, 0.127659574468], [-0.276595744681, 0.36170212766, 0.127659574468], [-0.255319148936, 0.36170212766, 0.127659574468], [-0.382978723404, 0.382978723404, 0.127659574468], [-0.36170212766, 0.382978723404, 0.127659574468], [-0.340425531915, 0.382978723404, 0.127659574468], [-0.31914893617, 0.382978723404, 0.127659574468], [-0.297872340426, 0.382978723404, 0.127659574468], [-0.276595744681, 0.382978723404, 0.127659574468], [-0.255319148936, 0.382978723404, 0.127659574468], [-0.404255319149, 0.404255319149, 0.127659574468], [-0.382978723404, 0.404255319149, 0.127659574468], [-0.36170212766, 0.404255319149, 0.127659574468], [-0.340425531915, 0.404255319149, 0.127659574468], [-0.31914893617, 0.404255319149, 0.127659574468], [-0.297872340426, 0.404255319149, 0.127659574468], [-0.276595744681, 0.404255319149, 0.127659574468], [-0.425531914894, 0.425531914894, 0.127659574468], [-0.404255319149, 0.425531914894, 0.127659574468], [-0.382978723404, 0.425531914894, 0.127659574468], [-0.36170212766, 0.425531914894, 0.127659574468], [-0.340425531915, 0.425531914894, 0.127659574468], [-0.31914893617, 0.425531914894, 0.127659574468], [-0.297872340426, 0.425531914894, 0.127659574468], [-0.276595744681, 0.425531914894, 0.127659574468], [-0.446808510638, 0.446808510638, 0.127659574468], [-0.425531914894, 0.446808510638, 0.127659574468], [-0.404255319149, 0.446808510638, 0.127659574468], [-0.382978723404, 0.446808510638, 0.127659574468], [-0.36170212766, 0.446808510638, 0.127659574468], [-0.340425531915, 0.446808510638, 0.127659574468], [-0.31914893617, 0.446808510638, 0.127659574468], [-0.297872340426, 0.446808510638, 0.127659574468], [-0.468085106383, 0.468085106383, 0.127659574468], [-0.446808510638, 0.468085106383, 0.127659574468], [-0.425531914894, 0.468085106383, 0.127659574468], [-0.404255319149, 0.468085106383, 0.127659574468], [-0.382978723404, 0.468085106383, 0.127659574468], [-0.36170212766, 0.468085106383, 0.127659574468], [-0.340425531915, 0.468085106383, 0.127659574468], [-0.31914893617, 0.468085106383, 0.127659574468], [-0.297872340426, 0.468085106383, 0.127659574468], [-0.489361702128, 0.489361702128, 0.127659574468], [-0.468085106383, 0.489361702128, 0.127659574468], [-0.446808510638, 0.489361702128, 0.127659574468], [-0.425531914894, 0.489361702128, 0.127659574468], [-0.404255319149, 0.489361702128, 0.127659574468], [-0.382978723404, 0.489361702128, 0.127659574468], [-0.36170212766, 0.489361702128, 0.127659574468], [-0.340425531915, 0.489361702128, 0.127659574468], [-0.31914893617, 0.489361702128, 0.127659574468], [-0.489361702128, -0.489361702128, 0.127659574468], [-0.468085106383, -0.489361702128, 0.127659574468], [-0.446808510638, -0.489361702128, 0.127659574468], [-0.425531914894, -0.489361702128, 0.127659574468], [-0.404255319149, -0.489361702128, 0.127659574468], [-0.382978723404, -0.489361702128, 0.127659574468], [-0.36170212766, -0.489361702128, 0.127659574468], [-0.340425531915, -0.489361702128, 0.127659574468], [-0.31914893617, -0.489361702128, 0.127659574468], [-0.468085106383, -0.468085106383, 0.127659574468], [-0.446808510638, -0.468085106383, 0.127659574468], [-0.425531914894, -0.468085106383, 0.127659574468], [-0.404255319149, -0.468085106383, 0.127659574468], [-0.382978723404, -0.468085106383, 0.127659574468], [-0.36170212766, -0.468085106383, 0.127659574468], [-0.340425531915, -0.468085106383, 0.127659574468], [-0.446808510638, -0.446808510638, 0.127659574468], [-0.425531914894, -0.446808510638, 0.127659574468], [-0.404255319149, -0.446808510638, 0.127659574468], [-0.382978723404, -0.446808510638, 0.127659574468], [-0.36170212766, -0.446808510638, 0.127659574468], [-0.340425531915, -0.446808510638, 0.127659574468], [-0.425531914894, -0.425531914894, 0.127659574468], [-0.404255319149, -0.425531914894, 0.127659574468], [-0.382978723404, -0.425531914894, 0.127659574468], [-0.36170212766, -0.425531914894, 0.127659574468], [-0.404255319149, -0.404255319149, 0.127659574468], [-0.382978723404, -0.404255319149, 0.127659574468], [-0.36170212766, -0.404255319149, 0.127659574468], [-0.382978723404, -0.382978723404, 0.127659574468], [0.148936170213, 0.148936170213, 0.148936170213], [0.170212765957, 0.148936170213, 0.148936170213], [0.191489361702, 0.148936170213, 0.148936170213], [0.212765957447, 0.148936170213, 0.148936170213], [0.234042553191, 0.148936170213, 0.148936170213], [0.255319148936, 0.148936170213, 0.148936170213], [0.276595744681, 0.148936170213, 0.148936170213], [0.297872340426, 0.148936170213, 0.148936170213], [0.31914893617, 0.148936170213, 0.148936170213], [0.340425531915, 0.148936170213, 0.148936170213], [-0.148936170213, 0.148936170213, 0.148936170213], [0.170212765957, 0.170212765957, 0.148936170213], [0.191489361702, 0.170212765957, 0.148936170213], [0.212765957447, 0.170212765957, 0.148936170213], [0.234042553191, 0.170212765957, 0.148936170213], [0.255319148936, 0.170212765957, 0.148936170213], [0.276595744681, 0.170212765957, 0.148936170213], [0.297872340426, 0.170212765957, 0.148936170213], [0.31914893617, 0.170212765957, 0.148936170213], [0.340425531915, 0.170212765957, 0.148936170213], [-0.170212765957, 0.170212765957, 0.148936170213], [0.191489361702, 0.191489361702, 0.148936170213], [0.212765957447, 0.191489361702, 0.148936170213], [0.234042553191, 0.191489361702, 0.148936170213], [0.255319148936, 0.191489361702, 0.148936170213], [0.276595744681, 0.191489361702, 0.148936170213], [0.297872340426, 0.191489361702, 0.148936170213], [0.31914893617, 0.191489361702, 0.148936170213], [-0.191489361702, 0.191489361702, 0.148936170213], [-0.170212765957, 0.191489361702, 0.148936170213], [0.212765957447, 0.212765957447, 0.148936170213], [0.234042553191, 0.212765957447, 0.148936170213], [0.255319148936, 0.212765957447, 0.148936170213], [0.276595744681, 0.212765957447, 0.148936170213], [0.297872340426, 0.212765957447, 0.148936170213], [0.31914893617, 0.212765957447, 0.148936170213], [-0.212765957447, 0.212765957447, 0.148936170213], [-0.191489361702, 0.212765957447, 0.148936170213], [0.234042553191, 0.234042553191, 0.148936170213], [0.255319148936, 0.234042553191, 0.148936170213], [0.276595744681, 0.234042553191, 0.148936170213], [0.297872340426, 0.234042553191, 0.148936170213], [-0.234042553191, 0.234042553191, 0.148936170213], [-0.212765957447, 0.234042553191, 0.148936170213], [-0.191489361702, 0.234042553191, 0.148936170213], [0.255319148936, 0.255319148936, 0.148936170213], [0.276595744681, 0.255319148936, 0.148936170213], [0.297872340426, 0.255319148936, 0.148936170213], [-0.255319148936, 0.255319148936, 0.148936170213], [-0.234042553191, 0.255319148936, 0.148936170213], [-0.212765957447, 0.255319148936, 0.148936170213], [0.276595744681, 0.276595744681, 0.148936170213], [-0.276595744681, 0.276595744681, 0.148936170213], [-0.255319148936, 0.276595744681, 0.148936170213], [-0.234042553191, 0.276595744681, 0.148936170213], [-0.212765957447, 0.276595744681, 0.148936170213], [-0.297872340426, 0.297872340426, 0.148936170213], [-0.276595744681, 0.297872340426, 0.148936170213], [-0.255319148936, 0.297872340426, 0.148936170213], [-0.234042553191, 0.297872340426, 0.148936170213], [-0.31914893617, 0.31914893617, 0.148936170213], [-0.297872340426, 0.31914893617, 0.148936170213], [-0.276595744681, 0.31914893617, 0.148936170213], [-0.255319148936, 0.31914893617, 0.148936170213], [-0.234042553191, 0.31914893617, 0.148936170213], [-0.340425531915, 0.340425531915, 0.148936170213], [-0.31914893617, 0.340425531915, 0.148936170213], [-0.297872340426, 0.340425531915, 0.148936170213], [-0.276595744681, 0.340425531915, 0.148936170213], [-0.255319148936, 0.340425531915, 0.148936170213], [-0.36170212766, 0.36170212766, 0.148936170213], [-0.340425531915, 0.36170212766, 0.148936170213], [-0.31914893617, 0.36170212766, 0.148936170213], [-0.297872340426, 0.36170212766, 0.148936170213], [-0.276595744681, 0.36170212766, 0.148936170213], [-0.255319148936, 0.36170212766, 0.148936170213], [-0.382978723404, 0.382978723404, 0.148936170213], [-0.36170212766, 0.382978723404, 0.148936170213], [-0.340425531915, 0.382978723404, 0.148936170213], [-0.31914893617, 0.382978723404, 0.148936170213], [-0.297872340426, 0.382978723404, 0.148936170213], [-0.276595744681, 0.382978723404, 0.148936170213], [-0.404255319149, 0.404255319149, 0.148936170213], [-0.382978723404, 0.404255319149, 0.148936170213], [-0.36170212766, 0.404255319149, 0.148936170213], [-0.340425531915, 0.404255319149, 0.148936170213], [-0.31914893617, 0.404255319149, 0.148936170213], [-0.297872340426, 0.404255319149, 0.148936170213], [-0.276595744681, 0.404255319149, 0.148936170213], [-0.425531914894, 0.425531914894, 0.148936170213], [-0.404255319149, 0.425531914894, 0.148936170213], [-0.382978723404, 0.425531914894, 0.148936170213], [-0.36170212766, 0.425531914894, 0.148936170213], [-0.340425531915, 0.425531914894, 0.148936170213], [-0.31914893617, 0.425531914894, 0.148936170213], [-0.297872340426, 0.425531914894, 0.148936170213], [-0.446808510638, 0.446808510638, 0.148936170213], [-0.425531914894, 0.446808510638, 0.148936170213], [-0.404255319149, 0.446808510638, 0.148936170213], [-0.382978723404, 0.446808510638, 0.148936170213], [-0.36170212766, 0.446808510638, 0.148936170213], [-0.340425531915, 0.446808510638, 0.148936170213], [-0.31914893617, 0.446808510638, 0.148936170213], [-0.297872340426, 0.446808510638, 0.148936170213], [-0.468085106383, 0.468085106383, 0.148936170213], [-0.446808510638, 0.468085106383, 0.148936170213], [-0.425531914894, 0.468085106383, 0.148936170213], [-0.404255319149, 0.468085106383, 0.148936170213], [-0.382978723404, 0.468085106383, 0.148936170213], [-0.36170212766, 0.468085106383, 0.148936170213], [-0.340425531915, 0.468085106383, 0.148936170213], [-0.31914893617, 0.468085106383, 0.148936170213], [-0.489361702128, 0.489361702128, 0.148936170213], [-0.468085106383, 0.489361702128, 0.148936170213], [-0.446808510638, 0.489361702128, 0.148936170213], [-0.425531914894, 0.489361702128, 0.148936170213], [-0.404255319149, 0.489361702128, 0.148936170213], [-0.382978723404, 0.489361702128, 0.148936170213], [-0.36170212766, 0.489361702128, 0.148936170213], [-0.340425531915, 0.489361702128, 0.148936170213], [-0.31914893617, 0.489361702128, 0.148936170213], [-0.489361702128, -0.489361702128, 0.148936170213], [-0.468085106383, -0.489361702128, 0.148936170213], [-0.446808510638, -0.489361702128, 0.148936170213], [-0.425531914894, -0.489361702128, 0.148936170213], [-0.404255319149, -0.489361702128, 0.148936170213], [-0.382978723404, -0.489361702128, 0.148936170213], [-0.36170212766, -0.489361702128, 0.148936170213], [-0.340425531915, -0.489361702128, 0.148936170213], [-0.468085106383, -0.468085106383, 0.148936170213], [-0.446808510638, -0.468085106383, 0.148936170213], [-0.425531914894, -0.468085106383, 0.148936170213], [-0.404255319149, -0.468085106383, 0.148936170213], [-0.382978723404, -0.468085106383, 0.148936170213], [-0.36170212766, -0.468085106383, 0.148936170213], [-0.340425531915, -0.468085106383, 0.148936170213], [-0.446808510638, -0.446808510638, 0.148936170213], [-0.425531914894, -0.446808510638, 0.148936170213], [-0.404255319149, -0.446808510638, 0.148936170213], [-0.382978723404, -0.446808510638, 0.148936170213], [-0.36170212766, -0.446808510638, 0.148936170213], [-0.425531914894, -0.425531914894, 0.148936170213], [-0.404255319149, -0.425531914894, 0.148936170213], [-0.382978723404, -0.425531914894, 0.148936170213], [-0.36170212766, -0.425531914894, 0.148936170213], [-0.404255319149, -0.404255319149, 0.148936170213], [-0.382978723404, -0.404255319149, 0.148936170213], [-0.382978723404, -0.382978723404, 0.148936170213], [0.170212765957, 0.170212765957, 0.170212765957], [0.191489361702, 0.170212765957, 0.170212765957], [0.212765957447, 0.170212765957, 0.170212765957], [0.234042553191, 0.170212765957, 0.170212765957], [0.255319148936, 0.170212765957, 0.170212765957], [0.276595744681, 0.170212765957, 0.170212765957], [0.297872340426, 0.170212765957, 0.170212765957], [0.31914893617, 0.170212765957, 0.170212765957], [-0.170212765957, 0.170212765957, 0.170212765957], [0.191489361702, 0.191489361702, 0.170212765957], [0.212765957447, 0.191489361702, 0.170212765957], [0.234042553191, 0.191489361702, 0.170212765957], [0.255319148936, 0.191489361702, 0.170212765957], [0.276595744681, 0.191489361702, 0.170212765957], [0.297872340426, 0.191489361702, 0.170212765957], [0.31914893617, 0.191489361702, 0.170212765957], [-0.191489361702, 0.191489361702, 0.170212765957], [0.212765957447, 0.212765957447, 0.170212765957], [0.234042553191, 0.212765957447, 0.170212765957], [0.255319148936, 0.212765957447, 0.170212765957], [0.276595744681, 0.212765957447, 0.170212765957], [0.297872340426, 0.212765957447, 0.170212765957], [-0.212765957447, 0.212765957447, 0.170212765957], [-0.191489361702, 0.212765957447, 0.170212765957], [0.234042553191, 0.234042553191, 0.170212765957], [0.255319148936, 0.234042553191, 0.170212765957], [0.276595744681, 0.234042553191, 0.170212765957], [0.297872340426, 0.234042553191, 0.170212765957], [-0.234042553191, 0.234042553191, 0.170212765957], [-0.212765957447, 0.234042553191, 0.170212765957], [0.255319148936, 0.255319148936, 0.170212765957], [0.276595744681, 0.255319148936, 0.170212765957], [-0.255319148936, 0.255319148936, 0.170212765957], [-0.234042553191, 0.255319148936, 0.170212765957], [-0.212765957447, 0.255319148936, 0.170212765957], [0.276595744681, 0.276595744681, 0.170212765957], [-0.276595744681, 0.276595744681, 0.170212765957], [-0.255319148936, 0.276595744681, 0.170212765957], [-0.234042553191, 0.276595744681, 0.170212765957], [-0.297872340426, 0.297872340426, 0.170212765957], [-0.276595744681, 0.297872340426, 0.170212765957], [-0.255319148936, 0.297872340426, 0.170212765957], [-0.234042553191, 0.297872340426, 0.170212765957], [-0.31914893617, 0.31914893617, 0.170212765957], [-0.297872340426, 0.31914893617, 0.170212765957], [-0.276595744681, 0.31914893617, 0.170212765957], [-0.255319148936, 0.31914893617, 0.170212765957], [-0.340425531915, 0.340425531915, 0.170212765957], [-0.31914893617, 0.340425531915, 0.170212765957], [-0.297872340426, 0.340425531915, 0.170212765957], [-0.276595744681, 0.340425531915, 0.170212765957], [-0.255319148936, 0.340425531915, 0.170212765957], [-0.36170212766, 0.36170212766, 0.170212765957], [-0.340425531915, 0.36170212766, 0.170212765957], [-0.31914893617, 0.36170212766, 0.170212765957], [-0.297872340426, 0.36170212766, 0.170212765957], [-0.276595744681, 0.36170212766, 0.170212765957], [-0.382978723404, 0.382978723404, 0.170212765957], [-0.36170212766, 0.382978723404, 0.170212765957], [-0.340425531915, 0.382978723404, 0.170212765957], [-0.31914893617, 0.382978723404, 0.170212765957], [-0.297872340426, 0.382978723404, 0.170212765957], [-0.276595744681, 0.382978723404, 0.170212765957], [-0.404255319149, 0.404255319149, 0.170212765957], [-0.382978723404, 0.404255319149, 0.170212765957], [-0.36170212766, 0.404255319149, 0.170212765957], [-0.340425531915, 0.404255319149, 0.170212765957], [-0.31914893617, 0.404255319149, 0.170212765957], [-0.297872340426, 0.404255319149, 0.170212765957], [-0.425531914894, 0.425531914894, 0.170212765957], [-0.404255319149, 0.425531914894, 0.170212765957], [-0.382978723404, 0.425531914894, 0.170212765957], [-0.36170212766, 0.425531914894, 0.170212765957], [-0.340425531915, 0.425531914894, 0.170212765957], [-0.31914893617, 0.425531914894, 0.170212765957], [-0.297872340426, 0.425531914894, 0.170212765957], [-0.446808510638, 0.446808510638, 0.170212765957], [-0.425531914894, 0.446808510638, 0.170212765957], [-0.404255319149, 0.446808510638, 0.170212765957], [-0.382978723404, 0.446808510638, 0.170212765957], [-0.36170212766, 0.446808510638, 0.170212765957], [-0.340425531915, 0.446808510638, 0.170212765957], [-0.31914893617, 0.446808510638, 0.170212765957], [-0.468085106383, 0.468085106383, 0.170212765957], [-0.446808510638, 0.468085106383, 0.170212765957], [-0.425531914894, 0.468085106383, 0.170212765957], [-0.404255319149, 0.468085106383, 0.170212765957], [-0.382978723404, 0.468085106383, 0.170212765957], [-0.36170212766, 0.468085106383, 0.170212765957], [-0.340425531915, 0.468085106383, 0.170212765957], [-0.31914893617, 0.468085106383, 0.170212765957], [-0.489361702128, 0.489361702128, 0.170212765957], [-0.468085106383, 0.489361702128, 0.170212765957], [-0.446808510638, 0.489361702128, 0.170212765957], [-0.425531914894, 0.489361702128, 0.170212765957], [-0.404255319149, 0.489361702128, 0.170212765957], [-0.382978723404, 0.489361702128, 0.170212765957], [-0.36170212766, 0.489361702128, 0.170212765957], [-0.340425531915, 0.489361702128, 0.170212765957], [-0.489361702128, -0.489361702128, 0.170212765957], [-0.468085106383, -0.489361702128, 0.170212765957], [-0.446808510638, -0.489361702128, 0.170212765957], [-0.425531914894, -0.489361702128, 0.170212765957], [-0.404255319149, -0.489361702128, 0.170212765957], [-0.382978723404, -0.489361702128, 0.170212765957], [-0.36170212766, -0.489361702128, 0.170212765957], [-0.340425531915, -0.489361702128, 0.170212765957], [-0.468085106383, -0.468085106383, 0.170212765957], [-0.446808510638, -0.468085106383, 0.170212765957], [-0.425531914894, -0.468085106383, 0.170212765957], [-0.404255319149, -0.468085106383, 0.170212765957], [-0.382978723404, -0.468085106383, 0.170212765957], [-0.36170212766, -0.468085106383, 0.170212765957], [-0.446808510638, -0.446808510638, 0.170212765957], [-0.425531914894, -0.446808510638, 0.170212765957], [-0.404255319149, -0.446808510638, 0.170212765957], [-0.382978723404, -0.446808510638, 0.170212765957], [-0.36170212766, -0.446808510638, 0.170212765957], [-0.425531914894, -0.425531914894, 0.170212765957], [-0.404255319149, -0.425531914894, 0.170212765957], [-0.382978723404, -0.425531914894, 0.170212765957], [-0.404255319149, -0.404255319149, 0.170212765957], [-0.382978723404, -0.404255319149, 0.170212765957], [0.191489361702, 0.191489361702, 0.191489361702], [0.212765957447, 0.191489361702, 0.191489361702], [0.234042553191, 0.191489361702, 0.191489361702], [0.255319148936, 0.191489361702, 0.191489361702], [0.276595744681, 0.191489361702, 0.191489361702], [0.297872340426, 0.191489361702, 0.191489361702], [-0.191489361702, 0.191489361702, 0.191489361702], [0.212765957447, 0.212765957447, 0.191489361702], [0.234042553191, 0.212765957447, 0.191489361702], [0.255319148936, 0.212765957447, 0.191489361702], [0.276595744681, 0.212765957447, 0.191489361702], [0.297872340426, 0.212765957447, 0.191489361702], [-0.212765957447, 0.212765957447, 0.191489361702], [0.234042553191, 0.234042553191, 0.191489361702], [0.255319148936, 0.234042553191, 0.191489361702], [0.276595744681, 0.234042553191, 0.191489361702], [-0.234042553191, 0.234042553191, 0.191489361702], [-0.212765957447, 0.234042553191, 0.191489361702], [0.255319148936, 0.255319148936, 0.191489361702], [0.276595744681, 0.255319148936, 0.191489361702], [-0.255319148936, 0.255319148936, 0.191489361702], [-0.234042553191, 0.255319148936, 0.191489361702], [-0.276595744681, 0.276595744681, 0.191489361702], [-0.255319148936, 0.276595744681, 0.191489361702], [-0.234042553191, 0.276595744681, 0.191489361702], [-0.297872340426, 0.297872340426, 0.191489361702], [-0.276595744681, 0.297872340426, 0.191489361702], [-0.255319148936, 0.297872340426, 0.191489361702], [-0.31914893617, 0.31914893617, 0.191489361702], [-0.297872340426, 0.31914893617, 0.191489361702], [-0.276595744681, 0.31914893617, 0.191489361702], [-0.255319148936, 0.31914893617, 0.191489361702], [-0.340425531915, 0.340425531915, 0.191489361702], [-0.31914893617, 0.340425531915, 0.191489361702], [-0.297872340426, 0.340425531915, 0.191489361702], [-0.276595744681, 0.340425531915, 0.191489361702], [-0.36170212766, 0.36170212766, 0.191489361702], [-0.340425531915, 0.36170212766, 0.191489361702], [-0.31914893617, 0.36170212766, 0.191489361702], [-0.297872340426, 0.36170212766, 0.191489361702], [-0.276595744681, 0.36170212766, 0.191489361702], [-0.382978723404, 0.382978723404, 0.191489361702], [-0.36170212766, 0.382978723404, 0.191489361702], [-0.340425531915, 0.382978723404, 0.191489361702], [-0.31914893617, 0.382978723404, 0.191489361702], [-0.297872340426, 0.382978723404, 0.191489361702], [-0.404255319149, 0.404255319149, 0.191489361702], [-0.382978723404, 0.404255319149, 0.191489361702], [-0.36170212766, 0.404255319149, 0.191489361702], [-0.340425531915, 0.404255319149, 0.191489361702], [-0.31914893617, 0.404255319149, 0.191489361702], [-0.297872340426, 0.404255319149, 0.191489361702], [-0.425531914894, 0.425531914894, 0.191489361702], [-0.404255319149, 0.425531914894, 0.191489361702], [-0.382978723404, 0.425531914894, 0.191489361702], [-0.36170212766, 0.425531914894, 0.191489361702], [-0.340425531915, 0.425531914894, 0.191489361702], [-0.31914893617, 0.425531914894, 0.191489361702], [-0.446808510638, 0.446808510638, 0.191489361702], [-0.425531914894, 0.446808510638, 0.191489361702], [-0.404255319149, 0.446808510638, 0.191489361702], [-0.382978723404, 0.446808510638, 0.191489361702], [-0.36170212766, 0.446808510638, 0.191489361702], [-0.340425531915, 0.446808510638, 0.191489361702], [-0.31914893617, 0.446808510638, 0.191489361702], [-0.468085106383, 0.468085106383, 0.191489361702], [-0.446808510638, 0.468085106383, 0.191489361702], [-0.425531914894, 0.468085106383, 0.191489361702], [-0.404255319149, 0.468085106383, 0.191489361702], [-0.382978723404, 0.468085106383, 0.191489361702], [-0.36170212766, 0.468085106383, 0.191489361702], [-0.340425531915, 0.468085106383, 0.191489361702], [-0.489361702128, 0.489361702128, 0.191489361702], [-0.468085106383, 0.489361702128, 0.191489361702], [-0.446808510638, 0.489361702128, 0.191489361702], [-0.425531914894, 0.489361702128, 0.191489361702], [-0.404255319149, 0.489361702128, 0.191489361702], [-0.382978723404, 0.489361702128, 0.191489361702], [-0.36170212766, 0.489361702128, 0.191489361702], [-0.340425531915, 0.489361702128, 0.191489361702], [-0.489361702128, -0.489361702128, 0.191489361702], [-0.468085106383, -0.489361702128, 0.191489361702], [-0.446808510638, -0.489361702128, 0.191489361702], [-0.425531914894, -0.489361702128, 0.191489361702], [-0.404255319149, -0.489361702128, 0.191489361702], [-0.382978723404, -0.489361702128, 0.191489361702], [-0.36170212766, -0.489361702128, 0.191489361702], [-0.468085106383, -0.468085106383, 0.191489361702], [-0.446808510638, -0.468085106383, 0.191489361702], [-0.425531914894, -0.468085106383, 0.191489361702], [-0.404255319149, -0.468085106383, 0.191489361702], [-0.382978723404, -0.468085106383, 0.191489361702], [-0.36170212766, -0.468085106383, 0.191489361702], [-0.446808510638, -0.446808510638, 0.191489361702], [-0.425531914894, -0.446808510638, 0.191489361702], [-0.404255319149, -0.446808510638, 0.191489361702], [-0.382978723404, -0.446808510638, 0.191489361702], [-0.425531914894, -0.425531914894, 0.191489361702], [-0.404255319149, -0.425531914894, 0.191489361702], [-0.382978723404, -0.425531914894, 0.191489361702], [-0.404255319149, -0.404255319149, 0.191489361702], [0.212765957447, 0.212765957447, 0.212765957447], [0.234042553191, 0.212765957447, 0.212765957447], [0.255319148936, 0.212765957447, 0.212765957447], [0.276595744681, 0.212765957447, 0.212765957447], [-0.212765957447, 0.212765957447, 0.212765957447], [0.234042553191, 0.234042553191, 0.212765957447], [0.255319148936, 0.234042553191, 0.212765957447], [0.276595744681, 0.234042553191, 0.212765957447], [-0.234042553191, 0.234042553191, 0.212765957447], [0.255319148936, 0.255319148936, 0.212765957447], [-0.255319148936, 0.255319148936, 0.212765957447], [-0.234042553191, 0.255319148936, 0.212765957447], [-0.276595744681, 0.276595744681, 0.212765957447], [-0.255319148936, 0.276595744681, 0.212765957447], [-0.297872340426, 0.297872340426, 0.212765957447], [-0.276595744681, 0.297872340426, 0.212765957447], [-0.255319148936, 0.297872340426, 0.212765957447], [-0.31914893617, 0.31914893617, 0.212765957447], [-0.297872340426, 0.31914893617, 0.212765957447], [-0.276595744681, 0.31914893617, 0.212765957447], [-0.340425531915, 0.340425531915, 0.212765957447], [-0.31914893617, 0.340425531915, 0.212765957447], [-0.297872340426, 0.340425531915, 0.212765957447], [-0.276595744681, 0.340425531915, 0.212765957447], [-0.36170212766, 0.36170212766, 0.212765957447], [-0.340425531915, 0.36170212766, 0.212765957447], [-0.31914893617, 0.36170212766, 0.212765957447], [-0.297872340426, 0.36170212766, 0.212765957447], [-0.382978723404, 0.382978723404, 0.212765957447], [-0.36170212766, 0.382978723404, 0.212765957447], [-0.340425531915, 0.382978723404, 0.212765957447], [-0.31914893617, 0.382978723404, 0.212765957447], [-0.297872340426, 0.382978723404, 0.212765957447], [-0.404255319149, 0.404255319149, 0.212765957447], [-0.382978723404, 0.404255319149, 0.212765957447], [-0.36170212766, 0.404255319149, 0.212765957447], [-0.340425531915, 0.404255319149, 0.212765957447], [-0.31914893617, 0.404255319149, 0.212765957447], [-0.425531914894, 0.425531914894, 0.212765957447], [-0.404255319149, 0.425531914894, 0.212765957447], [-0.382978723404, 0.425531914894, 0.212765957447], [-0.36170212766, 0.425531914894, 0.212765957447], [-0.340425531915, 0.425531914894, 0.212765957447], [-0.31914893617, 0.425531914894, 0.212765957447], [-0.446808510638, 0.446808510638, 0.212765957447], [-0.425531914894, 0.446808510638, 0.212765957447], [-0.404255319149, 0.446808510638, 0.212765957447], [-0.382978723404, 0.446808510638, 0.212765957447], [-0.36170212766, 0.446808510638, 0.212765957447], [-0.340425531915, 0.446808510638, 0.212765957447], [-0.468085106383, 0.468085106383, 0.212765957447], [-0.446808510638, 0.468085106383, 0.212765957447], [-0.425531914894, 0.468085106383, 0.212765957447], [-0.404255319149, 0.468085106383, 0.212765957447], [-0.382978723404, 0.468085106383, 0.212765957447], [-0.36170212766, 0.468085106383, 0.212765957447], [-0.340425531915, 0.468085106383, 0.212765957447], [-0.489361702128, 0.489361702128, 0.212765957447], [-0.468085106383, 0.489361702128, 0.212765957447], [-0.446808510638, 0.489361702128, 0.212765957447], [-0.425531914894, 0.489361702128, 0.212765957447], [-0.404255319149, 0.489361702128, 0.212765957447], [-0.382978723404, 0.489361702128, 0.212765957447], [-0.36170212766, 0.489361702128, 0.212765957447], [-0.489361702128, -0.489361702128, 0.212765957447], [-0.468085106383, -0.489361702128, 0.212765957447], [-0.446808510638, -0.489361702128, 0.212765957447], [-0.425531914894, -0.489361702128, 0.212765957447], [-0.404255319149, -0.489361702128, 0.212765957447], [-0.382978723404, -0.489361702128, 0.212765957447], [-0.36170212766, -0.489361702128, 0.212765957447], [-0.468085106383, -0.468085106383, 0.212765957447], [-0.446808510638, -0.468085106383, 0.212765957447], [-0.425531914894, -0.468085106383, 0.212765957447], [-0.404255319149, -0.468085106383, 0.212765957447], [-0.382978723404, -0.468085106383, 0.212765957447], [-0.446808510638, -0.446808510638, 0.212765957447], [-0.425531914894, -0.446808510638, 0.212765957447], [-0.404255319149, -0.446808510638, 0.212765957447], [-0.382978723404, -0.446808510638, 0.212765957447], [-0.425531914894, -0.425531914894, 0.212765957447], [-0.404255319149, -0.425531914894, 0.212765957447], [-0.404255319149, -0.404255319149, 0.212765957447], [0.234042553191, 0.234042553191, 0.234042553191], [0.255319148936, 0.234042553191, 0.234042553191], [-0.234042553191, 0.234042553191, 0.234042553191], [0.255319148936, 0.255319148936, 0.234042553191], [-0.255319148936, 0.255319148936, 0.234042553191], [-0.276595744681, 0.276595744681, 0.234042553191], [-0.255319148936, 0.276595744681, 0.234042553191], [-0.297872340426, 0.297872340426, 0.234042553191], [-0.276595744681, 0.297872340426, 0.234042553191], [-0.31914893617, 0.31914893617, 0.234042553191], [-0.297872340426, 0.31914893617, 0.234042553191], [-0.276595744681, 0.31914893617, 0.234042553191], [-0.340425531915, 0.340425531915, 0.234042553191], [-0.31914893617, 0.340425531915, 0.234042553191], [-0.297872340426, 0.340425531915, 0.234042553191], [-0.36170212766, 0.36170212766, 0.234042553191], [-0.340425531915, 0.36170212766, 0.234042553191], [-0.31914893617, 0.36170212766, 0.234042553191], [-0.297872340426, 0.36170212766, 0.234042553191], [-0.382978723404, 0.382978723404, 0.234042553191], [-0.36170212766, 0.382978723404, 0.234042553191], [-0.340425531915, 0.382978723404, 0.234042553191], [-0.31914893617, 0.382978723404, 0.234042553191], [-0.404255319149, 0.404255319149, 0.234042553191], [-0.382978723404, 0.404255319149, 0.234042553191], [-0.36170212766, 0.404255319149, 0.234042553191], [-0.340425531915, 0.404255319149, 0.234042553191], [-0.31914893617, 0.404255319149, 0.234042553191], [-0.425531914894, 0.425531914894, 0.234042553191], [-0.404255319149, 0.425531914894, 0.234042553191], [-0.382978723404, 0.425531914894, 0.234042553191], [-0.36170212766, 0.425531914894, 0.234042553191], [-0.340425531915, 0.425531914894, 0.234042553191], [-0.446808510638, 0.446808510638, 0.234042553191], [-0.425531914894, 0.446808510638, 0.234042553191], [-0.404255319149, 0.446808510638, 0.234042553191], [-0.382978723404, 0.446808510638, 0.234042553191], [-0.36170212766, 0.446808510638, 0.234042553191], [-0.340425531915, 0.446808510638, 0.234042553191], [-0.468085106383, 0.468085106383, 0.234042553191], [-0.446808510638, 0.468085106383, 0.234042553191], [-0.425531914894, 0.468085106383, 0.234042553191], [-0.404255319149, 0.468085106383, 0.234042553191], [-0.382978723404, 0.468085106383, 0.234042553191], [-0.36170212766, 0.468085106383, 0.234042553191], [-0.489361702128, 0.489361702128, 0.234042553191], [-0.468085106383, 0.489361702128, 0.234042553191], [-0.446808510638, 0.489361702128, 0.234042553191], [-0.425531914894, 0.489361702128, 0.234042553191], [-0.404255319149, 0.489361702128, 0.234042553191], [-0.382978723404, 0.489361702128, 0.234042553191], [-0.36170212766, 0.489361702128, 0.234042553191], [-0.489361702128, -0.489361702128, 0.234042553191], [-0.468085106383, -0.489361702128, 0.234042553191], [-0.446808510638, -0.489361702128, 0.234042553191], [-0.425531914894, -0.489361702128, 0.234042553191], [-0.404255319149, -0.489361702128, 0.234042553191], [-0.382978723404, -0.489361702128, 0.234042553191], [-0.468085106383, -0.468085106383, 0.234042553191], [-0.446808510638, -0.468085106383, 0.234042553191], [-0.425531914894, -0.468085106383, 0.234042553191], [-0.404255319149, -0.468085106383, 0.234042553191], [-0.382978723404, -0.468085106383, 0.234042553191], [-0.446808510638, -0.446808510638, 0.234042553191], [-0.425531914894, -0.446808510638, 0.234042553191], [-0.404255319149, -0.446808510638, 0.234042553191], [-0.425531914894, -0.425531914894, 0.234042553191], [-0.404255319149, -0.425531914894, 0.234042553191], [-0.255319148936, 0.255319148936, 0.255319148936], [-0.276595744681, 0.276595744681, 0.255319148936], [-0.297872340426, 0.297872340426, 0.255319148936], [-0.276595744681, 0.297872340426, 0.255319148936], [-0.31914893617, 0.31914893617, 0.255319148936], [-0.297872340426, 0.31914893617, 0.255319148936], [-0.340425531915, 0.340425531915, 0.255319148936], [-0.31914893617, 0.340425531915, 0.255319148936], [-0.297872340426, 0.340425531915, 0.255319148936], [-0.36170212766, 0.36170212766, 0.255319148936], [-0.340425531915, 0.36170212766, 0.255319148936], [-0.31914893617, 0.36170212766, 0.255319148936], [-0.382978723404, 0.382978723404, 0.255319148936], [-0.36170212766, 0.382978723404, 0.255319148936], [-0.340425531915, 0.382978723404, 0.255319148936], [-0.31914893617, 0.382978723404, 0.255319148936], [-0.404255319149, 0.404255319149, 0.255319148936], [-0.382978723404, 0.404255319149, 0.255319148936], [-0.36170212766, 0.404255319149, 0.255319148936], [-0.340425531915, 0.404255319149, 0.255319148936], [-0.425531914894, 0.425531914894, 0.255319148936], [-0.404255319149, 0.425531914894, 0.255319148936], [-0.382978723404, 0.425531914894, 0.255319148936], [-0.36170212766, 0.425531914894, 0.255319148936], [-0.340425531915, 0.425531914894, 0.255319148936], [-0.446808510638, 0.446808510638, 0.255319148936], [-0.425531914894, 0.446808510638, 0.255319148936], [-0.404255319149, 0.446808510638, 0.255319148936], [-0.382978723404, 0.446808510638, 0.255319148936], [-0.36170212766, 0.446808510638, 0.255319148936], [-0.468085106383, 0.468085106383, 0.255319148936], [-0.446808510638, 0.468085106383, 0.255319148936], [-0.425531914894, 0.468085106383, 0.255319148936], [-0.404255319149, 0.468085106383, 0.255319148936], [-0.382978723404, 0.468085106383, 0.255319148936], [-0.36170212766, 0.468085106383, 0.255319148936], [-0.489361702128, 0.489361702128, 0.255319148936], [-0.468085106383, 0.489361702128, 0.255319148936], [-0.446808510638, 0.489361702128, 0.255319148936], [-0.425531914894, 0.489361702128, 0.255319148936], [-0.404255319149, 0.489361702128, 0.255319148936], [-0.382978723404, 0.489361702128, 0.255319148936], [-0.489361702128, -0.489361702128, 0.255319148936], [-0.468085106383, -0.489361702128, 0.255319148936], [-0.446808510638, -0.489361702128, 0.255319148936], [-0.425531914894, -0.489361702128, 0.255319148936], [-0.404255319149, -0.489361702128, 0.255319148936], [-0.382978723404, -0.489361702128, 0.255319148936], [-0.468085106383, -0.468085106383, 0.255319148936], [-0.446808510638, -0.468085106383, 0.255319148936], [-0.425531914894, -0.468085106383, 0.255319148936], [-0.404255319149, -0.468085106383, 0.255319148936], [-0.446808510638, -0.446808510638, 0.255319148936], [-0.425531914894, -0.446808510638, 0.255319148936], [-0.404255319149, -0.446808510638, 0.255319148936], [-0.425531914894, -0.425531914894, 0.255319148936], [-0.276595744681, 0.276595744681, 0.276595744681], [-0.297872340426, 0.297872340426, 0.276595744681], [-0.31914893617, 0.31914893617, 0.276595744681], [-0.297872340426, 0.31914893617, 0.276595744681], [-0.340425531915, 0.340425531915, 0.276595744681], [-0.31914893617, 0.340425531915, 0.276595744681], [-0.36170212766, 0.36170212766, 0.276595744681], [-0.340425531915, 0.36170212766, 0.276595744681], [-0.31914893617, 0.36170212766, 0.276595744681], [-0.382978723404, 0.382978723404, 0.276595744681], [-0.36170212766, 0.382978723404, 0.276595744681], [-0.340425531915, 0.382978723404, 0.276595744681], [-0.404255319149, 0.404255319149, 0.276595744681], [-0.382978723404, 0.404255319149, 0.276595744681], [-0.36170212766, 0.404255319149, 0.276595744681], [-0.340425531915, 0.404255319149, 0.276595744681], [-0.425531914894, 0.425531914894, 0.276595744681], [-0.404255319149, 0.425531914894, 0.276595744681], [-0.382978723404, 0.425531914894, 0.276595744681], [-0.36170212766, 0.425531914894, 0.276595744681], [-0.446808510638, 0.446808510638, 0.276595744681], [-0.425531914894, 0.446808510638, 0.276595744681], [-0.404255319149, 0.446808510638, 0.276595744681], [-0.382978723404, 0.446808510638, 0.276595744681], [-0.36170212766, 0.446808510638, 0.276595744681], [-0.468085106383, 0.468085106383, 0.276595744681], [-0.446808510638, 0.468085106383, 0.276595744681], [-0.425531914894, 0.468085106383, 0.276595744681], [-0.404255319149, 0.468085106383, 0.276595744681], [-0.382978723404, 0.468085106383, 0.276595744681], [-0.489361702128, 0.489361702128, 0.276595744681], [-0.468085106383, 0.489361702128, 0.276595744681], [-0.446808510638, 0.489361702128, 0.276595744681], [-0.425531914894, 0.489361702128, 0.276595744681], [-0.404255319149, 0.489361702128, 0.276595744681], [-0.382978723404, 0.489361702128, 0.276595744681], [-0.489361702128, -0.489361702128, 0.276595744681], [-0.468085106383, -0.489361702128, 0.276595744681], [-0.446808510638, -0.489361702128, 0.276595744681], [-0.425531914894, -0.489361702128, 0.276595744681], [-0.404255319149, -0.489361702128, 0.276595744681], [-0.468085106383, -0.468085106383, 0.276595744681], [-0.446808510638, -0.468085106383, 0.276595744681], [-0.425531914894, -0.468085106383, 0.276595744681], [-0.404255319149, -0.468085106383, 0.276595744681], [-0.446808510638, -0.446808510638, 0.276595744681], [-0.425531914894, -0.446808510638, 0.276595744681], [-0.425531914894, -0.425531914894, 0.276595744681], [-0.297872340426, 0.297872340426, 0.297872340426], [-0.31914893617, 0.31914893617, 0.297872340426], [-0.340425531915, 0.340425531915, 0.297872340426], [-0.31914893617, 0.340425531915, 0.297872340426], [-0.36170212766, 0.36170212766, 0.297872340426], [-0.340425531915, 0.36170212766, 0.297872340426], [-0.382978723404, 0.382978723404, 0.297872340426], [-0.36170212766, 0.382978723404, 0.297872340426], [-0.340425531915, 0.382978723404, 0.297872340426], [-0.404255319149, 0.404255319149, 0.297872340426], [-0.382978723404, 0.404255319149, 0.297872340426], [-0.36170212766, 0.404255319149, 0.297872340426], [-0.425531914894, 0.425531914894, 0.297872340426], [-0.404255319149, 0.425531914894, 0.297872340426], [-0.382978723404, 0.425531914894, 0.297872340426], [-0.36170212766, 0.425531914894, 0.297872340426], [-0.446808510638, 0.446808510638, 0.297872340426], [-0.425531914894, 0.446808510638, 0.297872340426], [-0.404255319149, 0.446808510638, 0.297872340426], [-0.382978723404, 0.446808510638, 0.297872340426], [-0.468085106383, 0.468085106383, 0.297872340426], [-0.446808510638, 0.468085106383, 0.297872340426], [-0.425531914894, 0.468085106383, 0.297872340426], [-0.404255319149, 0.468085106383, 0.297872340426], [-0.382978723404, 0.468085106383, 0.297872340426], [-0.489361702128, 0.489361702128, 0.297872340426], [-0.468085106383, 0.489361702128, 0.297872340426], [-0.446808510638, 0.489361702128, 0.297872340426], [-0.425531914894, 0.489361702128, 0.297872340426], [-0.404255319149, 0.489361702128, 0.297872340426], [-0.489361702128, -0.489361702128, 0.297872340426], [-0.468085106383, -0.489361702128, 0.297872340426], [-0.446808510638, -0.489361702128, 0.297872340426], [-0.425531914894, -0.489361702128, 0.297872340426], [-0.404255319149, -0.489361702128, 0.297872340426], [-0.468085106383, -0.468085106383, 0.297872340426], [-0.446808510638, -0.468085106383, 0.297872340426], [-0.425531914894, -0.468085106383, 0.297872340426], [-0.446808510638, -0.446808510638, 0.297872340426], [-0.425531914894, -0.446808510638, 0.297872340426], [-0.31914893617, 0.31914893617, 0.31914893617], [-0.340425531915, 0.340425531915, 0.31914893617], [-0.36170212766, 0.36170212766, 0.31914893617], [-0.340425531915, 0.36170212766, 0.31914893617], [-0.382978723404, 0.382978723404, 0.31914893617], [-0.36170212766, 0.382978723404, 0.31914893617], [-0.404255319149, 0.404255319149, 0.31914893617], [-0.382978723404, 0.404255319149, 0.31914893617], [-0.36170212766, 0.404255319149, 0.31914893617], [-0.425531914894, 0.425531914894, 0.31914893617], [-0.404255319149, 0.425531914894, 0.31914893617], [-0.382978723404, 0.425531914894, 0.31914893617], [-0.446808510638, 0.446808510638, 0.31914893617], [-0.425531914894, 0.446808510638, 0.31914893617], [-0.404255319149, 0.446808510638, 0.31914893617], [-0.382978723404, 0.446808510638, 0.31914893617], [-0.468085106383, 0.468085106383, 0.31914893617], [-0.446808510638, 0.468085106383, 0.31914893617], [-0.425531914894, 0.468085106383, 0.31914893617], [-0.404255319149, 0.468085106383, 0.31914893617], [-0.489361702128, 0.489361702128, 0.31914893617], [-0.468085106383, 0.489361702128, 0.31914893617], [-0.446808510638, 0.489361702128, 0.31914893617], [-0.425531914894, 0.489361702128, 0.31914893617], [-0.404255319149, 0.489361702128, 0.31914893617], [-0.489361702128, -0.489361702128, 0.31914893617], [-0.468085106383, -0.489361702128, 0.31914893617], [-0.446808510638, -0.489361702128, 0.31914893617], [-0.425531914894, -0.489361702128, 0.31914893617], [-0.468085106383, -0.468085106383, 0.31914893617], [-0.446808510638, -0.468085106383, 0.31914893617], [-0.425531914894, -0.468085106383, 0.31914893617], [-0.446808510638, -0.446808510638, 0.31914893617], [-0.340425531915, 0.340425531915, 0.340425531915], [-0.36170212766, 0.36170212766, 0.340425531915], [-0.382978723404, 0.382978723404, 0.340425531915], [-0.36170212766, 0.382978723404, 0.340425531915], [-0.404255319149, 0.404255319149, 0.340425531915], [-0.382978723404, 0.404255319149, 0.340425531915], [-0.425531914894, 0.425531914894, 0.340425531915], [-0.404255319149, 0.425531914894, 0.340425531915], [-0.382978723404, 0.425531914894, 0.340425531915], [-0.446808510638, 0.446808510638, 0.340425531915], [-0.425531914894, 0.446808510638, 0.340425531915], [-0.404255319149, 0.446808510638, 0.340425531915], [-0.468085106383, 0.468085106383, 0.340425531915], [-0.446808510638, 0.468085106383, 0.340425531915], [-0.425531914894, 0.468085106383, 0.340425531915], [-0.404255319149, 0.468085106383, 0.340425531915], [-0.489361702128, 0.489361702128, 0.340425531915], [-0.468085106383, 0.489361702128, 0.340425531915], [-0.446808510638, 0.489361702128, 0.340425531915], [-0.425531914894, 0.489361702128, 0.340425531915], [-0.489361702128, -0.489361702128, 0.340425531915], [-0.468085106383, -0.489361702128, 0.340425531915], [-0.446808510638, -0.489361702128, 0.340425531915], [-0.425531914894, -0.489361702128, 0.340425531915], [-0.468085106383, -0.468085106383, 0.340425531915], [-0.446808510638, -0.468085106383, 0.340425531915], [-0.446808510638, -0.446808510638, 0.340425531915], [-0.36170212766, 0.36170212766, 0.36170212766], [-0.382978723404, 0.382978723404, 0.36170212766], [-0.404255319149, 0.404255319149, 0.36170212766], [-0.382978723404, 0.404255319149, 0.36170212766], [-0.425531914894, 0.425531914894, 0.36170212766], [-0.404255319149, 0.425531914894, 0.36170212766], [-0.446808510638, 0.446808510638, 0.36170212766], [-0.425531914894, 0.446808510638, 0.36170212766], [-0.404255319149, 0.446808510638, 0.36170212766], [-0.468085106383, 0.468085106383, 0.36170212766], [-0.446808510638, 0.468085106383, 0.36170212766], [-0.425531914894, 0.468085106383, 0.36170212766], [-0.489361702128, 0.489361702128, 0.36170212766], [-0.468085106383, 0.489361702128, 0.36170212766], [-0.446808510638, 0.489361702128, 0.36170212766], [-0.425531914894, 0.489361702128, 0.36170212766], [-0.489361702128, -0.489361702128, 0.36170212766], [-0.468085106383, -0.489361702128, 0.36170212766], [-0.446808510638, -0.489361702128, 0.36170212766], [-0.468085106383, -0.468085106383, 0.36170212766], [-0.446808510638, -0.468085106383, 0.36170212766], [-0.382978723404, 0.382978723404, 0.382978723404], [-0.404255319149, 0.404255319149, 0.382978723404], [-0.425531914894, 0.425531914894, 0.382978723404], [-0.404255319149, 0.425531914894, 0.382978723404], [-0.446808510638, 0.446808510638, 0.382978723404], [-0.425531914894, 0.446808510638, 0.382978723404], [-0.468085106383, 0.468085106383, 0.382978723404], [-0.446808510638, 0.468085106383, 0.382978723404], [-0.425531914894, 0.468085106383, 0.382978723404], [-0.489361702128, 0.489361702128, 0.382978723404], [-0.468085106383, 0.489361702128, 0.382978723404], [-0.446808510638, 0.489361702128, 0.382978723404], [-0.489361702128, -0.489361702128, 0.382978723404], [-0.468085106383, -0.489361702128, 0.382978723404], [-0.446808510638, -0.489361702128, 0.382978723404], [-0.468085106383, -0.468085106383, 0.382978723404], [-0.404255319149, 0.404255319149, 0.404255319149], [-0.425531914894, 0.425531914894, 0.404255319149], [-0.446808510638, 0.446808510638, 0.404255319149], [-0.425531914894, 0.446808510638, 0.404255319149], [-0.468085106383, 0.468085106383, 0.404255319149], [-0.446808510638, 0.468085106383, 0.404255319149], [-0.489361702128, 0.489361702128, 0.404255319149], [-0.468085106383, 0.489361702128, 0.404255319149], [-0.446808510638, 0.489361702128, 0.404255319149], [-0.489361702128, -0.489361702128, 0.404255319149], [-0.468085106383, -0.489361702128, 0.404255319149], [-0.468085106383, -0.468085106383, 0.404255319149], [-0.425531914894, 0.425531914894, 0.425531914894], [-0.446808510638, 0.446808510638, 0.425531914894], [-0.468085106383, 0.468085106383, 0.425531914894], [-0.446808510638, 0.468085106383, 0.425531914894], [-0.489361702128, 0.489361702128, 0.425531914894], [-0.468085106383, 0.489361702128, 0.425531914894], [-0.489361702128, -0.489361702128, 0.425531914894], [-0.468085106383, -0.489361702128, 0.425531914894], [-0.446808510638, 0.446808510638, 0.446808510638], [-0.468085106383, 0.468085106383, 0.446808510638], [-0.489361702128, 0.489361702128, 0.446808510638], [-0.468085106383, 0.489361702128, 0.446808510638], [-0.489361702128, -0.489361702128, 0.446808510638], [-0.468085106383, 0.468085106383, 0.468085106383], [-0.489361702128, 0.489361702128, 0.468085106383], [-0.489361702128, -0.489361702128, 0.468085106383], [-0.489361702128, 0.489361702128, 0.489361702128]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 8.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 8.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 6.0, 8.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 8.0, 6.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Fast", "EDIFF": 5e-05, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISYM": 0, "LASPH": true, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.325477, 0.0, -0.82218], [-1.162738, 2.013922, -0.82218], [0.0, 0.0, 2.466541]], "a": 2.4665407415911456, "b": 2.4665403769506797, "c": 2.466541, "alpha": 109.47121753868328, "beta": 109.47121454397771, "gamma": 109.47121810510589, "volume": 11.551623712244321}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 11, 11]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": 2.1900356}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.222}}]}, "nsites": 1, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 11.551623485580814, "density": 8.027685701888801, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054273f7551cd85263bec"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:50:16.362000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-12 17:09:06"}, "task_ids": ["mp-146", "mp-1056529", "mp-1056045", "mp-1056533", "mp-1094020", "mp-1056494", "mp-1056547", "mp-1056041", "mp-1440652", "mp-1097815", "mp-1094024", "mp-1056553", "mp-1056509", "mp-1056501", "mp-977611", "mp-1056037", "mp-1178833", "mp-993761", "mp-990535", "mp-1056050", "mp-992130", "mp-1056488"], "deprecated_tasks": ["mp-1178833"], "task_id": "mp-146", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-992130", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-02-06 06:17:16"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-992130", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-02-06 06:17:16"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1440652", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:50:16.362000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1440652", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:50:16.362000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1440652", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:50:16.362000"}}], "task_types": {"mp-990535": "GGA Static", "mp-992130": "GGA NSCF Uniform", "mp-993761": "GGA NSCF Line", "mp-977611": "GGA Static", "mp-146": "GGA Structure Optimization", "mp-1056037": "GGA Structure Optimization", "mp-1056041": "GGA Static", "mp-1056045": "GGA NSCF Line", "mp-1056050": "GGA NSCF Uniform", "mp-1056553": "GGA NSCF Uniform", "mp-1056488": "GGA Structure Optimization", "mp-1056494": "GGA Static", "mp-1056501": "GGA NSCF Line", "mp-1056509": "GGA NSCF Uniform", "mp-1056529": "GGA Structure Optimization", "mp-1056533": "GGA Static", "mp-1056547": "GGA NSCF Line", "mp-1094020": "GGA Structure Optimization", "mp-1094024": "GGA Structure Optimization", "mp-1097815": "GGA Structure Optimization", "mp-1178833": "GGA Structure Optimization", "mp-1440652": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-993761", "cbm": null, "dos_task": "mp-992130", "efermi": 5.8753213, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-992130", "vbm": null}, "energy": -9.08235617, "energy_per_atom": -9.08235617, "entries": {"gga": {"composition": {"V": 1.0}, "energy": -9.08235617, "parameters": {"potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "run_type": "GGA", "task_id": "mp-1440652"}, "entry_id": "mp-146"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 0.0, 2.531856], [-1.867935, 1.867935, 1.265928], [-1.867935, -1.867935, 1.265928]], "a": 2.531856, "b": 2.929323476441958, "c": 2.929323476441958, "alpha": 79.23625143419817, "beta": 64.39546545281307, "gamma": 64.39546545281307, "volume": 17.668208531460103}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.089783, 1.41456, -0.205236], [-2.089783, 1.41456, 0.205236], [0.0, -1.41456, 2.108978]], "a": 2.531855998350815, "b": 2.531855998350815, "c": 2.5394424974950702, "alpha": 104.11670848588791, "beta": 112.24322075265782, "gamma": 112.06745885656738, "volume": 12.46879860251326}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.5, 0.0, 0.5], "xyz": [1.0448915, 0.0, 0.951871], "label": "V", "properties": {}}]}, {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.186662, 1.480137, -0.214751], [-2.186662, 1.480137, 0.214751], [0.0, 0.0, 4.413493]], "a": 2.649228988406627, "b": 2.649228988406627, "c": 4.413493, "alpha": 85.3504052357412, "beta": 94.6495947642588, "gamma": 112.06745094672067, "volume": 28.569063917859282}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.73392, 0.26608, 0.76627], "xyz": [1.0230079500800002, 1.480137, 3.28145817327], "label": "V", "properties": {}}, {"species": [{"element": "V", "occu": 1}], "abc": [0.26608, 0.73392, 0.23373], "xyz": [-1.0230079500800002, 1.480137, 1.13203482673], "label": "V", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 20, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: v", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 301, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.00793650793651, -0.00793650793651, 0.00793650793651], [0.015873015873, -0.015873015873, 0.015873015873], [0.0238095238095, -0.0238095238095, 0.0238095238095], [0.031746031746, -0.031746031746, 0.031746031746], [0.0396825396825, -0.0396825396825, 0.0396825396825], [0.047619047619, -0.047619047619, 0.047619047619], [0.0555555555556, -0.0555555555556, 0.0555555555556], [0.0634920634921, -0.0634920634921, 0.0634920634921], [0.0714285714286, -0.0714285714286, 0.0714285714286], [0.0793650793651, -0.0793650793651, 0.0793650793651], [0.0873015873016, -0.0873015873016, 0.0873015873016], [0.0952380952381, -0.0952380952381, 0.0952380952381], [0.103174603175, -0.103174603175, 0.103174603175], [0.111111111111, -0.111111111111, 0.111111111111], [0.119047619048, -0.119047619048, 0.119047619048], [0.126984126984, -0.126984126984, 0.126984126984], [0.134920634921, -0.134920634921, 0.134920634921], [0.142857142857, -0.142857142857, 0.142857142857], [0.150793650794, -0.150793650794, 0.150793650794], [0.15873015873, -0.15873015873, 0.15873015873], [0.166666666667, -0.166666666667, 0.166666666667], [0.174603174603, -0.174603174603, 0.174603174603], [0.18253968254, -0.18253968254, 0.18253968254], [0.190476190476, -0.190476190476, 0.190476190476], [0.198412698413, -0.198412698413, 0.198412698413], [0.206349206349, -0.206349206349, 0.206349206349], [0.214285714286, -0.214285714286, 0.214285714286], [0.222222222222, -0.222222222222, 0.222222222222], [0.230158730159, -0.230158730159, 0.230158730159], [0.238095238095, -0.238095238095, 0.238095238095], [0.246031746032, -0.246031746032, 0.246031746032], [0.253968253968, -0.253968253968, 0.253968253968], [0.261904761905, -0.261904761905, 0.261904761905], [0.269841269841, -0.269841269841, 0.269841269841], [0.277777777778, -0.277777777778, 0.277777777778], [0.285714285714, -0.285714285714, 0.285714285714], [0.293650793651, -0.293650793651, 0.293650793651], [0.301587301587, -0.301587301587, 0.301587301587], [0.309523809524, -0.309523809524, 0.309523809524], [0.31746031746, -0.31746031746, 0.31746031746], [0.325396825397, -0.325396825397, 0.325396825397], [0.333333333333, -0.333333333333, 0.333333333333], [0.34126984127, -0.34126984127, 0.34126984127], [0.349206349206, -0.349206349206, 0.349206349206], [0.357142857143, -0.357142857143, 0.357142857143], [0.365079365079, -0.365079365079, 0.365079365079], [0.373015873016, -0.373015873016, 0.373015873016], [0.380952380952, -0.380952380952, 0.380952380952], [0.388888888889, -0.388888888889, 0.388888888889], [0.396825396825, -0.396825396825, 0.396825396825], [0.404761904762, -0.404761904762, 0.404761904762], [0.412698412698, -0.412698412698, 0.412698412698], [0.420634920635, -0.420634920635, 0.420634920635], [0.428571428571, -0.428571428571, 0.428571428571], [0.436507936508, -0.436507936508, 0.436507936508], [0.444444444444, -0.444444444444, 0.444444444444], [0.452380952381, -0.452380952381, 0.452380952381], [0.460317460317, -0.460317460317, 0.460317460317], [0.468253968254, -0.468253968254, 0.468253968254], [0.47619047619, -0.47619047619, 0.47619047619], [0.484126984127, -0.484126984127, 0.484126984127], [0.492063492063, -0.492063492063, 0.492063492063], [0.5, -0.5, 0.5], [0.5, -0.5, 0.5], [0.488888888889, -0.488888888889, 0.5], [0.477777777778, -0.477777777778, 0.5], [0.466666666667, -0.466666666667, 0.5], [0.455555555556, -0.455555555556, 0.5], [0.444444444444, -0.444444444444, 0.5], [0.433333333333, -0.433333333333, 0.5], [0.422222222222, -0.422222222222, 0.5], [0.411111111111, -0.411111111111, 0.5], [0.4, -0.4, 0.5], [0.388888888889, -0.388888888889, 0.5], [0.377777777778, -0.377777777778, 0.5], [0.366666666667, -0.366666666667, 0.5], [0.355555555556, -0.355555555556, 0.5], [0.344444444444, -0.344444444444, 0.5], [0.333333333333, -0.333333333333, 0.5], [0.322222222222, -0.322222222222, 0.5], [0.311111111111, -0.311111111111, 0.5], [0.3, -0.3, 0.5], [0.288888888889, -0.288888888889, 0.5], [0.277777777778, -0.277777777778, 0.5], [0.266666666667, -0.266666666667, 0.5], [0.255555555556, -0.255555555556, 0.5], [0.244444444444, -0.244444444444, 0.5], [0.233333333333, -0.233333333333, 0.5], [0.222222222222, -0.222222222222, 0.5], [0.211111111111, -0.211111111111, 0.5], [0.2, -0.2, 0.5], [0.188888888889, -0.188888888889, 0.5], [0.177777777778, -0.177777777778, 0.5], [0.166666666667, -0.166666666667, 0.5], [0.155555555556, -0.155555555556, 0.5], [0.144444444444, -0.144444444444, 0.5], [0.133333333333, -0.133333333333, 0.5], [0.122222222222, -0.122222222222, 0.5], [0.111111111111, -0.111111111111, 0.5], [0.1, -0.1, 0.5], [0.0888888888889, -0.0888888888889, 0.5], [0.0777777777778, -0.0777777777778, 0.5], [0.0666666666667, -0.0666666666667, 0.5], [0.0555555555556, -0.0555555555556, 0.5], [0.0444444444444, -0.0444444444444, 0.5], [0.0333333333333, -0.0333333333333, 0.5], [0.0222222222222, -0.0222222222222, 0.5], [0.0111111111111, -0.0111111111111, 0.5], [0.0, 0.0, 0.5], [0.0, 0.0, 0.5], [-2.77555756156e-17, 2.77555756156e-17, 0.488888888889], [0.0, 0.0, 0.477777777778], [-2.77555756156e-17, 2.77555756156e-17, 0.466666666667], [0.0, 0.0, 0.455555555556], [-2.77555756156e-17, 2.77555756156e-17, 0.444444444444], [-2.77555756156e-17, 2.77555756156e-17, 0.433333333333], [0.0, 0.0, 0.422222222222], [-2.77555756156e-17, 2.77555756156e-17, 0.411111111111], [2.77555756156e-17, -2.77555756156e-17, 0.4], [0.0, 0.0, 0.388888888889], [-2.77555756156e-17, 2.77555756156e-17, 0.377777777778], [0.0, 0.0, 0.366666666667], [0.0, 0.0, 0.355555555556], [0.0, 0.0, 0.344444444444], [0.0, 0.0, 0.333333333333], [0.0, 0.0, 0.322222222222], [-2.77555756156e-17, 2.77555756156e-17, 0.311111111111], [0.0, 0.0, 0.3], [0.0, 0.0, 0.288888888889], [0.0, 0.0, 0.277777777778], [-2.77555756156e-17, 2.77555756156e-17, 0.266666666667], [0.0, 0.0, 0.255555555556], [-1.38777878078e-17, 1.38777878078e-17, 0.244444444444], [1.38777878078e-17, -1.38777878078e-17, 0.233333333333], [-1.38777878078e-17, 1.38777878078e-17, 0.222222222222], [1.38777878078e-17, -1.38777878078e-17, 0.211111111111], [1.38777878078e-17, -1.38777878078e-17, 0.2], [-2.77555756156e-17, 2.77555756156e-17, 0.188888888889], [0.0, 0.0, 0.177777777778], [0.0, 0.0, 0.166666666667], [-1.38777878078e-17, 1.38777878078e-17, 0.155555555556], [-1.38777878078e-17, 1.38777878078e-17, 0.144444444444], [0.0, 0.0, 0.133333333333], [-2.08166817117e-17, 2.08166817117e-17, 0.122222222222], [0.0, 0.0, 0.111111111111], [6.93889390391e-18, -6.93889390391e-18, 0.1], [-2.77555756156e-17, 2.77555756156e-17, 0.0888888888889], [-6.93889390391e-18, 6.93889390391e-18, 0.0777777777778], [-6.93889390391e-18, 6.93889390391e-18, 0.0666666666667], [1.38777878078e-17, -1.38777878078e-17, 0.0555555555556], [-1.38777878078e-17, 1.38777878078e-17, 0.0444444444444], [6.93889390391e-18, -6.93889390391e-18, 0.0333333333333], [5.20417042793e-18, -5.20417042793e-18, 0.0222222222222], [2.60208521397e-18, -2.60208521397e-18, 0.0111111111111], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.00454545454545, 0.00454545454545, 0.00454545454545], [0.00909090909091, 0.00909090909091, 0.00909090909091], [0.0136363636364, 0.0136363636364, 0.0136363636364], [0.0181818181818, 0.0181818181818, 0.0181818181818], [0.0227272727273, 0.0227272727273, 0.0227272727273], [0.0272727272727, 0.0272727272727, 0.0272727272727], [0.0318181818182, 0.0318181818182, 0.0318181818182], [0.0363636363636, 0.0363636363636, 0.0363636363636], [0.0409090909091, 0.0409090909091, 0.0409090909091], [0.0454545454545, 0.0454545454545, 0.0454545454545], [0.05, 0.05, 0.05], [0.0545454545455, 0.0545454545455, 0.0545454545455], [0.0590909090909, 0.0590909090909, 0.0590909090909], [0.0636363636364, 0.0636363636364, 0.0636363636364], [0.0681818181818, 0.0681818181818, 0.0681818181818], [0.0727272727273, 0.0727272727273, 0.0727272727273], [0.0772727272727, 0.0772727272727, 0.0772727272727], [0.0818181818182, 0.0818181818182, 0.0818181818182], [0.0863636363636, 0.0863636363636, 0.0863636363636], [0.0909090909091, 0.0909090909091, 0.0909090909091], [0.0954545454545, 0.0954545454545, 0.0954545454545], [0.1, 0.1, 0.1], [0.104545454545, 0.104545454545, 0.104545454545], [0.109090909091, 0.109090909091, 0.109090909091], [0.113636363636, 0.113636363636, 0.113636363636], [0.118181818182, 0.118181818182, 0.118181818182], [0.122727272727, 0.122727272727, 0.122727272727], [0.127272727273, 0.127272727273, 0.127272727273], [0.131818181818, 0.131818181818, 0.131818181818], [0.136363636364, 0.136363636364, 0.136363636364], [0.140909090909, 0.140909090909, 0.140909090909], [0.145454545455, 0.145454545455, 0.145454545455], [0.15, 0.15, 0.15], [0.154545454545, 0.154545454545, 0.154545454545], [0.159090909091, 0.159090909091, 0.159090909091], [0.163636363636, 0.163636363636, 0.163636363636], [0.168181818182, 0.168181818182, 0.168181818182], [0.172727272727, 0.172727272727, 0.172727272727], [0.177272727273, 0.177272727273, 0.177272727273], [0.181818181818, 0.181818181818, 0.181818181818], [0.186363636364, 0.186363636364, 0.186363636364], [0.190909090909, 0.190909090909, 0.190909090909], [0.195454545455, 0.195454545455, 0.195454545455], [0.2, 0.2, 0.2], [0.204545454545, 0.204545454545, 0.204545454545], [0.209090909091, 0.209090909091, 0.209090909091], [0.213636363636, 0.213636363636, 0.213636363636], [0.218181818182, 0.218181818182, 0.218181818182], [0.222727272727, 0.222727272727, 0.222727272727], [0.227272727273, 0.227272727273, 0.227272727273], [0.231818181818, 0.231818181818, 0.231818181818], [0.236363636364, 0.236363636364, 0.236363636364], [0.240909090909, 0.240909090909, 0.240909090909], [0.245454545455, 0.245454545455, 0.245454545455], [0.25, 0.25, 0.25], [0.25, 0.25, 0.25], [0.254545454545, 0.236363636364, 0.254545454545], [0.259090909091, 0.222727272727, 0.259090909091], [0.263636363636, 0.209090909091, 0.263636363636], [0.268181818182, 0.195454545455, 0.268181818182], [0.272727272727, 0.181818181818, 0.272727272727], [0.277272727273, 0.168181818182, 0.277272727273], [0.281818181818, 0.154545454545, 0.281818181818], [0.286363636364, 0.140909090909, 0.286363636364], [0.290909090909, 0.127272727273, 0.290909090909], [0.295454545455, 0.113636363636, 0.295454545455], [0.3, 0.1, 0.3], [0.304545454545, 0.0863636363636, 0.304545454545], [0.309090909091, 0.0727272727273, 0.309090909091], [0.313636363636, 0.0590909090909, 0.313636363636], [0.318181818182, 0.0454545454545, 0.318181818182], [0.322727272727, 0.0318181818182, 0.322727272727], [0.327272727273, 0.0181818181818, 0.327272727273], [0.331818181818, 0.00454545454545, 0.331818181818], [0.336363636364, -0.00909090909091, 0.336363636364], [0.340909090909, -0.0227272727273, 0.340909090909], [0.345454545455, -0.0363636363636, 0.345454545455], [0.35, -0.05, 0.35], [0.354545454545, -0.0636363636364, 0.354545454545], [0.359090909091, -0.0772727272727, 0.359090909091], [0.363636363636, -0.0909090909091, 0.363636363636], [0.368181818182, -0.104545454545, 0.368181818182], [0.372727272727, -0.118181818182, 0.372727272727], [0.377272727273, -0.131818181818, 0.377272727273], [0.381818181818, -0.145454545455, 0.381818181818], [0.386363636364, -0.159090909091, 0.386363636364], [0.390909090909, -0.172727272727, 0.390909090909], [0.395454545455, -0.186363636364, 0.395454545455], [0.4, -0.2, 0.4], [0.404545454545, -0.213636363636, 0.404545454545], [0.409090909091, -0.227272727273, 0.409090909091], [0.413636363636, -0.240909090909, 0.413636363636], [0.418181818182, -0.254545454545, 0.418181818182], [0.422727272727, -0.268181818182, 0.422727272727], [0.427272727273, -0.281818181818, 0.427272727273], [0.431818181818, -0.295454545455, 0.431818181818], [0.436363636364, -0.309090909091, 0.436363636364], [0.440909090909, -0.322727272727, 0.440909090909], [0.445454545455, -0.336363636364, 0.445454545455], [0.45, -0.35, 0.45], [0.454545454545, -0.363636363636, 0.454545454545], [0.459090909091, -0.377272727273, 0.459090909091], [0.463636363636, -0.390909090909, 0.463636363636], [0.468181818182, -0.404545454545, 0.468181818182], [0.472727272727, -0.418181818182, 0.472727272727], [0.477272727273, -0.431818181818, 0.477272727273], [0.481818181818, -0.445454545455, 0.481818181818], [0.486363636364, -0.459090909091, 0.486363636364], [0.490909090909, -0.472727272727, 0.490909090909], [0.495454545455, -0.486363636364, 0.495454545455], [0.5, -0.5, 0.5], [0.25, 0.25, 0.25], [0.2421875, 0.2421875, 0.2578125], [0.234375, 0.234375, 0.265625], [0.2265625, 0.2265625, 0.2734375], [0.21875, 0.21875, 0.28125], [0.2109375, 0.2109375, 0.2890625], [0.203125, 0.203125, 0.296875], [0.1953125, 0.1953125, 0.3046875], [0.1875, 0.1875, 0.3125], [0.1796875, 0.1796875, 0.3203125], [0.171875, 0.171875, 0.328125], [0.1640625, 0.1640625, 0.3359375], [0.15625, 0.15625, 0.34375], [0.1484375, 0.1484375, 0.3515625], [0.140625, 0.140625, 0.359375], [0.1328125, 0.1328125, 0.3671875], [0.125, 0.125, 0.375], [0.1171875, 0.1171875, 0.3828125], [0.109375, 0.109375, 0.390625], [0.1015625, 0.1015625, 0.3984375], [0.09375, 0.09375, 0.40625], [0.0859375, 0.0859375, 0.4140625], [0.078125, 0.078125, 0.421875], [0.0703125, 0.0703125, 0.4296875], [0.0625, 0.0625, 0.4375], [0.0546875, 0.0546875, 0.4453125], [0.046875, 0.046875, 0.453125], [0.0390625, 0.0390625, 0.4609375], [0.03125, 0.03125, 0.46875], [0.0234375, 0.0234375, 0.4765625], [0.015625, 0.015625, 0.484375], [0.0078125, 0.0078125, 0.4921875], [0.0, 0.0, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "N", "N", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "P", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "N"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 15, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: v", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 816, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0322580645161, 0.0, 0.0], [0.0645161290323, 0.0, 0.0], [0.0967741935484, 0.0, 0.0], [0.129032258065, 0.0, 0.0], [0.161290322581, 0.0, 0.0], [0.193548387097, 0.0, 0.0], [0.225806451613, 0.0, 0.0], [0.258064516129, 0.0, 0.0], [0.290322580645, 0.0, 0.0], [0.322580645161, 0.0, 0.0], [0.354838709677, 0.0, 0.0], [0.387096774194, 0.0, 0.0], [0.41935483871, 0.0, 0.0], [0.451612903226, 0.0, 0.0], [0.483870967742, 0.0, 0.0], [0.0322580645161, 0.0322580645161, 0.0], [0.0645161290323, 0.0322580645161, 0.0], [0.0967741935484, 0.0322580645161, 0.0], [0.129032258065, 0.0322580645161, 0.0], [0.161290322581, 0.0322580645161, 0.0], [0.193548387097, 0.0322580645161, 0.0], [0.225806451613, 0.0322580645161, 0.0], [0.258064516129, 0.0322580645161, 0.0], [0.290322580645, 0.0322580645161, 0.0], [0.322580645161, 0.0322580645161, 0.0], [0.354838709677, 0.0322580645161, 0.0], [0.387096774194, 0.0322580645161, 0.0], [0.41935483871, 0.0322580645161, 0.0], [0.451612903226, 0.0322580645161, 0.0], [0.483870967742, 0.0322580645161, 0.0], [0.0645161290323, 0.0645161290323, 0.0], [0.0967741935484, 0.0645161290323, 0.0], [0.129032258065, 0.0645161290323, 0.0], [0.161290322581, 0.0645161290323, 0.0], [0.193548387097, 0.0645161290323, 0.0], [0.225806451613, 0.0645161290323, 0.0], [0.258064516129, 0.0645161290323, 0.0], [0.290322580645, 0.0645161290323, 0.0], [0.322580645161, 0.0645161290323, 0.0], [0.354838709677, 0.0645161290323, 0.0], [0.387096774194, 0.0645161290323, 0.0], [0.41935483871, 0.0645161290323, 0.0], [0.451612903226, 0.0645161290323, 0.0], [0.0967741935484, 0.0967741935484, 0.0], [0.129032258065, 0.0967741935484, 0.0], [0.161290322581, 0.0967741935484, 0.0], [0.193548387097, 0.0967741935484, 0.0], [0.225806451613, 0.0967741935484, 0.0], [0.258064516129, 0.0967741935484, 0.0], [0.290322580645, 0.0967741935484, 0.0], [0.322580645161, 0.0967741935484, 0.0], [0.354838709677, 0.0967741935484, 0.0], [0.387096774194, 0.0967741935484, 0.0], [0.41935483871, 0.0967741935484, 0.0], [0.451612903226, 0.0967741935484, 0.0], [0.129032258065, 0.129032258065, 0.0], [0.161290322581, 0.129032258065, 0.0], [0.193548387097, 0.129032258065, 0.0], [0.225806451613, 0.129032258065, 0.0], [0.258064516129, 0.129032258065, 0.0], [0.290322580645, 0.129032258065, 0.0], [0.322580645161, 0.129032258065, 0.0], [0.354838709677, 0.129032258065, 0.0], [0.387096774194, 0.129032258065, 0.0], [0.41935483871, 0.129032258065, 0.0], [0.161290322581, 0.161290322581, 0.0], [0.193548387097, 0.161290322581, 0.0], [0.225806451613, 0.161290322581, 0.0], [0.258064516129, 0.161290322581, 0.0], [0.290322580645, 0.161290322581, 0.0], [0.322580645161, 0.161290322581, 0.0], [0.354838709677, 0.161290322581, 0.0], [0.387096774194, 0.161290322581, 0.0], [0.41935483871, 0.161290322581, 0.0], [0.193548387097, 0.193548387097, 0.0], [0.225806451613, 0.193548387097, 0.0], [0.258064516129, 0.193548387097, 0.0], [0.290322580645, 0.193548387097, 0.0], [0.322580645161, 0.193548387097, 0.0], [0.354838709677, 0.193548387097, 0.0], [0.387096774194, 0.193548387097, 0.0], [0.225806451613, 0.225806451613, 0.0], [0.258064516129, 0.225806451613, 0.0], [0.290322580645, 0.225806451613, 0.0], [0.322580645161, 0.225806451613, 0.0], [0.354838709677, 0.225806451613, 0.0], [0.387096774194, 0.225806451613, 0.0], [0.258064516129, 0.258064516129, 0.0], [0.290322580645, 0.258064516129, 0.0], [0.322580645161, 0.258064516129, 0.0], [0.354838709677, 0.258064516129, 0.0], [0.290322580645, 0.290322580645, 0.0], [0.322580645161, 0.290322580645, 0.0], [0.354838709677, 0.290322580645, 0.0], [0.322580645161, 0.322580645161, 0.0], [0.0322580645161, 0.0322580645161, 0.0322580645161], [0.0645161290323, 0.0322580645161, 0.0322580645161], [0.0967741935484, 0.0322580645161, 0.0322580645161], [0.129032258065, 0.0322580645161, 0.0322580645161], [0.161290322581, 0.0322580645161, 0.0322580645161], [0.193548387097, 0.0322580645161, 0.0322580645161], [0.225806451613, 0.0322580645161, 0.0322580645161], [0.258064516129, 0.0322580645161, 0.0322580645161], [0.290322580645, 0.0322580645161, 0.0322580645161], [0.322580645161, 0.0322580645161, 0.0322580645161], [0.354838709677, 0.0322580645161, 0.0322580645161], [0.387096774194, 0.0322580645161, 0.0322580645161], [0.41935483871, 0.0322580645161, 0.0322580645161], [0.451612903226, 0.0322580645161, 0.0322580645161], [-0.0322580645161, 0.0322580645161, 0.0322580645161], [0.0645161290323, 0.0645161290323, 0.0322580645161], [0.0967741935484, 0.0645161290323, 0.0322580645161], [0.129032258065, 0.0645161290323, 0.0322580645161], [0.161290322581, 0.0645161290323, 0.0322580645161], [0.193548387097, 0.0645161290323, 0.0322580645161], [0.225806451613, 0.0645161290323, 0.0322580645161], [0.258064516129, 0.0645161290323, 0.0322580645161], [0.290322580645, 0.0645161290323, 0.0322580645161], [0.322580645161, 0.0645161290323, 0.0322580645161], [0.354838709677, 0.0645161290323, 0.0322580645161], [0.387096774194, 0.0645161290323, 0.0322580645161], [0.41935483871, 0.0645161290323, 0.0322580645161], [0.451612903226, 0.0645161290323, 0.0322580645161], [-0.0645161290323, 0.0645161290323, 0.0322580645161], [0.0967741935484, 0.0967741935484, 0.0322580645161], [0.129032258065, 0.0967741935484, 0.0322580645161], [0.161290322581, 0.0967741935484, 0.0322580645161], [0.193548387097, 0.0967741935484, 0.0322580645161], [0.225806451613, 0.0967741935484, 0.0322580645161], [0.258064516129, 0.0967741935484, 0.0322580645161], [0.290322580645, 0.0967741935484, 0.0322580645161], [0.322580645161, 0.0967741935484, 0.0322580645161], [0.354838709677, 0.0967741935484, 0.0322580645161], [0.387096774194, 0.0967741935484, 0.0322580645161], [0.41935483871, 0.0967741935484, 0.0322580645161], [-0.0967741935484, 0.0967741935484, 0.0322580645161], [-0.0645161290323, 0.0967741935484, 0.0322580645161], [0.129032258065, 0.129032258065, 0.0322580645161], [0.161290322581, 0.129032258065, 0.0322580645161], [0.193548387097, 0.129032258065, 0.0322580645161], [0.225806451613, 0.129032258065, 0.0322580645161], [0.258064516129, 0.129032258065, 0.0322580645161], [0.290322580645, 0.129032258065, 0.0322580645161], [0.322580645161, 0.129032258065, 0.0322580645161], [0.354838709677, 0.129032258065, 0.0322580645161], [0.387096774194, 0.129032258065, 0.0322580645161], [0.41935483871, 0.129032258065, 0.0322580645161], [-0.129032258065, 0.129032258065, 0.0322580645161], [-0.0967741935484, 0.129032258065, 0.0322580645161], [0.161290322581, 0.161290322581, 0.0322580645161], [0.193548387097, 0.161290322581, 0.0322580645161], [0.225806451613, 0.161290322581, 0.0322580645161], [0.258064516129, 0.161290322581, 0.0322580645161], [0.290322580645, 0.161290322581, 0.0322580645161], [0.322580645161, 0.161290322581, 0.0322580645161], [0.354838709677, 0.161290322581, 0.0322580645161], [0.387096774194, 0.161290322581, 0.0322580645161], [-0.161290322581, 0.161290322581, 0.0322580645161], [-0.129032258065, 0.161290322581, 0.0322580645161], [-0.0967741935484, 0.161290322581, 0.0322580645161], [0.193548387097, 0.193548387097, 0.0322580645161], [0.225806451613, 0.193548387097, 0.0322580645161], [0.258064516129, 0.193548387097, 0.0322580645161], [0.290322580645, 0.193548387097, 0.0322580645161], [0.322580645161, 0.193548387097, 0.0322580645161], [0.354838709677, 0.193548387097, 0.0322580645161], [0.387096774194, 0.193548387097, 0.0322580645161], [-0.193548387097, 0.193548387097, 0.0322580645161], [-0.161290322581, 0.193548387097, 0.0322580645161], [-0.129032258065, 0.193548387097, 0.0322580645161], [0.225806451613, 0.225806451613, 0.0322580645161], [0.258064516129, 0.225806451613, 0.0322580645161], [0.290322580645, 0.225806451613, 0.0322580645161], [0.322580645161, 0.225806451613, 0.0322580645161], [0.354838709677, 0.225806451613, 0.0322580645161], [-0.225806451613, 0.225806451613, 0.0322580645161], [-0.193548387097, 0.225806451613, 0.0322580645161], [-0.161290322581, 0.225806451613, 0.0322580645161], [-0.129032258065, 0.225806451613, 0.0322580645161], [0.258064516129, 0.258064516129, 0.0322580645161], [0.290322580645, 0.258064516129, 0.0322580645161], [0.322580645161, 0.258064516129, 0.0322580645161], [0.354838709677, 0.258064516129, 0.0322580645161], [-0.258064516129, 0.258064516129, 0.0322580645161], [-0.225806451613, 0.258064516129, 0.0322580645161], [-0.193548387097, 0.258064516129, 0.0322580645161], [-0.161290322581, 0.258064516129, 0.0322580645161], [0.290322580645, 0.290322580645, 0.0322580645161], [0.322580645161, 0.290322580645, 0.0322580645161], [-0.290322580645, 0.290322580645, 0.0322580645161], [-0.258064516129, 0.290322580645, 0.0322580645161], [-0.225806451613, 0.290322580645, 0.0322580645161], [-0.193548387097, 0.290322580645, 0.0322580645161], [-0.161290322581, 0.290322580645, 0.0322580645161], [0.322580645161, 0.322580645161, 0.0322580645161], [-0.322580645161, 0.322580645161, 0.0322580645161], [-0.290322580645, 0.322580645161, 0.0322580645161], [-0.258064516129, 0.322580645161, 0.0322580645161], [-0.225806451613, 0.322580645161, 0.0322580645161], [-0.193548387097, 0.322580645161, 0.0322580645161], [-0.354838709677, 0.354838709677, 0.0322580645161], [-0.322580645161, 0.354838709677, 0.0322580645161], [-0.290322580645, 0.354838709677, 0.0322580645161], [-0.258064516129, 0.354838709677, 0.0322580645161], [-0.225806451613, 0.354838709677, 0.0322580645161], [-0.193548387097, 0.354838709677, 0.0322580645161], [-0.387096774194, 0.387096774194, 0.0322580645161], [-0.354838709677, 0.387096774194, 0.0322580645161], [-0.322580645161, 0.387096774194, 0.0322580645161], [-0.290322580645, 0.387096774194, 0.0322580645161], [-0.258064516129, 0.387096774194, 0.0322580645161], [-0.225806451613, 0.387096774194, 0.0322580645161], [-0.41935483871, 0.41935483871, 0.0322580645161], [-0.387096774194, 0.41935483871, 0.0322580645161], [-0.354838709677, 0.41935483871, 0.0322580645161], [-0.322580645161, 0.41935483871, 0.0322580645161], [-0.290322580645, 0.41935483871, 0.0322580645161], [-0.258064516129, 0.41935483871, 0.0322580645161], [-0.225806451613, 0.41935483871, 0.0322580645161], [-0.451612903226, 0.451612903226, 0.0322580645161], [-0.41935483871, 0.451612903226, 0.0322580645161], [-0.387096774194, 0.451612903226, 0.0322580645161], [-0.354838709677, 0.451612903226, 0.0322580645161], [-0.322580645161, 0.451612903226, 0.0322580645161], [-0.290322580645, 0.451612903226, 0.0322580645161], [-0.258064516129, 0.451612903226, 0.0322580645161], [-0.483870967742, 0.483870967742, 0.0322580645161], [-0.451612903226, 0.483870967742, 0.0322580645161], [-0.41935483871, 0.483870967742, 0.0322580645161], [-0.387096774194, 0.483870967742, 0.0322580645161], [-0.354838709677, 0.483870967742, 0.0322580645161], [-0.322580645161, 0.483870967742, 0.0322580645161], [-0.290322580645, 0.483870967742, 0.0322580645161], [-0.258064516129, 0.483870967742, 0.0322580645161], [-0.483870967742, -0.483870967742, 0.0322580645161], [-0.451612903226, -0.483870967742, 0.0322580645161], [-0.41935483871, -0.483870967742, 0.0322580645161], [-0.387096774194, -0.483870967742, 0.0322580645161], [-0.354838709677, -0.483870967742, 0.0322580645161], [-0.322580645161, -0.483870967742, 0.0322580645161], [-0.290322580645, -0.483870967742, 0.0322580645161], [-0.451612903226, -0.451612903226, 0.0322580645161], [-0.41935483871, -0.451612903226, 0.0322580645161], [-0.387096774194, -0.451612903226, 0.0322580645161], [-0.354838709677, -0.451612903226, 0.0322580645161], [-0.322580645161, -0.451612903226, 0.0322580645161], [-0.290322580645, -0.451612903226, 0.0322580645161], [-0.41935483871, -0.41935483871, 0.0322580645161], [-0.387096774194, -0.41935483871, 0.0322580645161], [-0.354838709677, -0.41935483871, 0.0322580645161], [-0.322580645161, -0.41935483871, 0.0322580645161], [-0.387096774194, -0.387096774194, 0.0322580645161], [-0.354838709677, -0.387096774194, 0.0322580645161], [-0.322580645161, -0.387096774194, 0.0322580645161], [-0.354838709677, -0.354838709677, 0.0322580645161], [0.0645161290323, 0.0645161290323, 0.0645161290323], [0.0967741935484, 0.0645161290323, 0.0645161290323], [0.129032258065, 0.0645161290323, 0.0645161290323], [0.161290322581, 0.0645161290323, 0.0645161290323], [0.193548387097, 0.0645161290323, 0.0645161290323], [0.225806451613, 0.0645161290323, 0.0645161290323], [0.258064516129, 0.0645161290323, 0.0645161290323], [0.290322580645, 0.0645161290323, 0.0645161290323], [0.322580645161, 0.0645161290323, 0.0645161290323], [0.354838709677, 0.0645161290323, 0.0645161290323], [0.387096774194, 0.0645161290323, 0.0645161290323], [0.41935483871, 0.0645161290323, 0.0645161290323], [-0.0645161290323, 0.0645161290323, 0.0645161290323], [0.0967741935484, 0.0967741935484, 0.0645161290323], [0.129032258065, 0.0967741935484, 0.0645161290323], [0.161290322581, 0.0967741935484, 0.0645161290323], [0.193548387097, 0.0967741935484, 0.0645161290323], [0.225806451613, 0.0967741935484, 0.0645161290323], [0.258064516129, 0.0967741935484, 0.0645161290323], [0.290322580645, 0.0967741935484, 0.0645161290323], [0.322580645161, 0.0967741935484, 0.0645161290323], [0.354838709677, 0.0967741935484, 0.0645161290323], [0.387096774194, 0.0967741935484, 0.0645161290323], [0.41935483871, 0.0967741935484, 0.0645161290323], [-0.0967741935484, 0.0967741935484, 0.0645161290323], [0.129032258065, 0.129032258065, 0.0645161290323], [0.161290322581, 0.129032258065, 0.0645161290323], [0.193548387097, 0.129032258065, 0.0645161290323], [0.225806451613, 0.129032258065, 0.0645161290323], [0.258064516129, 0.129032258065, 0.0645161290323], [0.290322580645, 0.129032258065, 0.0645161290323], [0.322580645161, 0.129032258065, 0.0645161290323], [0.354838709677, 0.129032258065, 0.0645161290323], [0.387096774194, 0.129032258065, 0.0645161290323], [-0.129032258065, 0.129032258065, 0.0645161290323], [-0.0967741935484, 0.129032258065, 0.0645161290323], [0.161290322581, 0.161290322581, 0.0645161290323], [0.193548387097, 0.161290322581, 0.0645161290323], [0.225806451613, 0.161290322581, 0.0645161290323], [0.258064516129, 0.161290322581, 0.0645161290323], [0.290322580645, 0.161290322581, 0.0645161290323], [0.322580645161, 0.161290322581, 0.0645161290323], [0.354838709677, 0.161290322581, 0.0645161290323], [0.387096774194, 0.161290322581, 0.0645161290323], [-0.161290322581, 0.161290322581, 0.0645161290323], [-0.129032258065, 0.161290322581, 0.0645161290323], [0.193548387097, 0.193548387097, 0.0645161290323], [0.225806451613, 0.193548387097, 0.0645161290323], [0.258064516129, 0.193548387097, 0.0645161290323], [0.290322580645, 0.193548387097, 0.0645161290323], [0.322580645161, 0.193548387097, 0.0645161290323], [0.354838709677, 0.193548387097, 0.0645161290323], [-0.193548387097, 0.193548387097, 0.0645161290323], [-0.161290322581, 0.193548387097, 0.0645161290323], [-0.129032258065, 0.193548387097, 0.0645161290323], [0.225806451613, 0.225806451613, 0.0645161290323], [0.258064516129, 0.225806451613, 0.0645161290323], [0.290322580645, 0.225806451613, 0.0645161290323], [0.322580645161, 0.225806451613, 0.0645161290323], [0.354838709677, 0.225806451613, 0.0645161290323], [-0.225806451613, 0.225806451613, 0.0645161290323], [-0.193548387097, 0.225806451613, 0.0645161290323], [-0.161290322581, 0.225806451613, 0.0645161290323], [0.258064516129, 0.258064516129, 0.0645161290323], [0.290322580645, 0.258064516129, 0.0645161290323], [0.322580645161, 0.258064516129, 0.0645161290323], [-0.258064516129, 0.258064516129, 0.0645161290323], [-0.225806451613, 0.258064516129, 0.0645161290323], [-0.193548387097, 0.258064516129, 0.0645161290323], [-0.161290322581, 0.258064516129, 0.0645161290323], [0.290322580645, 0.290322580645, 0.0645161290323], [0.322580645161, 0.290322580645, 0.0645161290323], [-0.290322580645, 0.290322580645, 0.0645161290323], [-0.258064516129, 0.290322580645, 0.0645161290323], [-0.225806451613, 0.290322580645, 0.0645161290323], [-0.193548387097, 0.290322580645, 0.0645161290323], [-0.322580645161, 0.322580645161, 0.0645161290323], [-0.290322580645, 0.322580645161, 0.0645161290323], [-0.258064516129, 0.322580645161, 0.0645161290323], [-0.225806451613, 0.322580645161, 0.0645161290323], [-0.193548387097, 0.322580645161, 0.0645161290323], [-0.354838709677, 0.354838709677, 0.0645161290323], [-0.322580645161, 0.354838709677, 0.0645161290323], [-0.290322580645, 0.354838709677, 0.0645161290323], [-0.258064516129, 0.354838709677, 0.0645161290323], [-0.225806451613, 0.354838709677, 0.0645161290323], [-0.387096774194, 0.387096774194, 0.0645161290323], [-0.354838709677, 0.387096774194, 0.0645161290323], [-0.322580645161, 0.387096774194, 0.0645161290323], [-0.290322580645, 0.387096774194, 0.0645161290323], [-0.258064516129, 0.387096774194, 0.0645161290323], [-0.225806451613, 0.387096774194, 0.0645161290323], [-0.41935483871, 0.41935483871, 0.0645161290323], [-0.387096774194, 0.41935483871, 0.0645161290323], [-0.354838709677, 0.41935483871, 0.0645161290323], [-0.322580645161, 0.41935483871, 0.0645161290323], [-0.290322580645, 0.41935483871, 0.0645161290323], [-0.258064516129, 0.41935483871, 0.0645161290323], [-0.451612903226, 0.451612903226, 0.0645161290323], [-0.41935483871, 0.451612903226, 0.0645161290323], [-0.387096774194, 0.451612903226, 0.0645161290323], [-0.354838709677, 0.451612903226, 0.0645161290323], [-0.322580645161, 0.451612903226, 0.0645161290323], [-0.290322580645, 0.451612903226, 0.0645161290323], [-0.258064516129, 0.451612903226, 0.0645161290323], [-0.483870967742, 0.483870967742, 0.0645161290323], [-0.451612903226, 0.483870967742, 0.0645161290323], [-0.41935483871, 0.483870967742, 0.0645161290323], [-0.387096774194, 0.483870967742, 0.0645161290323], [-0.354838709677, 0.483870967742, 0.0645161290323], [-0.322580645161, 0.483870967742, 0.0645161290323], [-0.290322580645, 0.483870967742, 0.0645161290323], [-0.483870967742, -0.483870967742, 0.0645161290323], [-0.451612903226, -0.483870967742, 0.0645161290323], [-0.41935483871, -0.483870967742, 0.0645161290323], [-0.387096774194, -0.483870967742, 0.0645161290323], [-0.354838709677, -0.483870967742, 0.0645161290323], [-0.322580645161, -0.483870967742, 0.0645161290323], [-0.290322580645, -0.483870967742, 0.0645161290323], [-0.451612903226, -0.451612903226, 0.0645161290323], [-0.41935483871, -0.451612903226, 0.0645161290323], [-0.387096774194, -0.451612903226, 0.0645161290323], [-0.354838709677, -0.451612903226, 0.0645161290323], [-0.322580645161, -0.451612903226, 0.0645161290323], [-0.41935483871, -0.41935483871, 0.0645161290323], [-0.387096774194, -0.41935483871, 0.0645161290323], [-0.354838709677, -0.41935483871, 0.0645161290323], [-0.322580645161, -0.41935483871, 0.0645161290323], [-0.387096774194, -0.387096774194, 0.0645161290323], [-0.354838709677, -0.387096774194, 0.0645161290323], [-0.354838709677, -0.354838709677, 0.0645161290323], [0.0967741935484, 0.0967741935484, 0.0967741935484], [0.129032258065, 0.0967741935484, 0.0967741935484], [0.161290322581, 0.0967741935484, 0.0967741935484], [0.193548387097, 0.0967741935484, 0.0967741935484], [0.225806451613, 0.0967741935484, 0.0967741935484], [0.258064516129, 0.0967741935484, 0.0967741935484], [0.290322580645, 0.0967741935484, 0.0967741935484], [0.322580645161, 0.0967741935484, 0.0967741935484], [0.354838709677, 0.0967741935484, 0.0967741935484], [0.387096774194, 0.0967741935484, 0.0967741935484], [-0.0967741935484, 0.0967741935484, 0.0967741935484], [0.129032258065, 0.129032258065, 0.0967741935484], [0.161290322581, 0.129032258065, 0.0967741935484], [0.193548387097, 0.129032258065, 0.0967741935484], [0.225806451613, 0.129032258065, 0.0967741935484], [0.258064516129, 0.129032258065, 0.0967741935484], [0.290322580645, 0.129032258065, 0.0967741935484], [0.322580645161, 0.129032258065, 0.0967741935484], [0.354838709677, 0.129032258065, 0.0967741935484], [0.387096774194, 0.129032258065, 0.0967741935484], [-0.129032258065, 0.129032258065, 0.0967741935484], [0.161290322581, 0.161290322581, 0.0967741935484], [0.193548387097, 0.161290322581, 0.0967741935484], [0.225806451613, 0.161290322581, 0.0967741935484], [0.258064516129, 0.161290322581, 0.0967741935484], [0.290322580645, 0.161290322581, 0.0967741935484], [0.322580645161, 0.161290322581, 0.0967741935484], [0.354838709677, 0.161290322581, 0.0967741935484], [-0.161290322581, 0.161290322581, 0.0967741935484], [-0.129032258065, 0.161290322581, 0.0967741935484], [0.193548387097, 0.193548387097, 0.0967741935484], [0.225806451613, 0.193548387097, 0.0967741935484], [0.258064516129, 0.193548387097, 0.0967741935484], [0.290322580645, 0.193548387097, 0.0967741935484], [0.322580645161, 0.193548387097, 0.0967741935484], [0.354838709677, 0.193548387097, 0.0967741935484], [-0.193548387097, 0.193548387097, 0.0967741935484], [-0.161290322581, 0.193548387097, 0.0967741935484], [0.225806451613, 0.225806451613, 0.0967741935484], [0.258064516129, 0.225806451613, 0.0967741935484], [0.290322580645, 0.225806451613, 0.0967741935484], [0.322580645161, 0.225806451613, 0.0967741935484], [-0.225806451613, 0.225806451613, 0.0967741935484], [-0.193548387097, 0.225806451613, 0.0967741935484], [-0.161290322581, 0.225806451613, 0.0967741935484], [0.258064516129, 0.258064516129, 0.0967741935484], [0.290322580645, 0.258064516129, 0.0967741935484], [0.322580645161, 0.258064516129, 0.0967741935484], [-0.258064516129, 0.258064516129, 0.0967741935484], [-0.225806451613, 0.258064516129, 0.0967741935484], [-0.193548387097, 0.258064516129, 0.0967741935484], [0.290322580645, 0.290322580645, 0.0967741935484], [-0.290322580645, 0.290322580645, 0.0967741935484], [-0.258064516129, 0.290322580645, 0.0967741935484], [-0.225806451613, 0.290322580645, 0.0967741935484], [-0.193548387097, 0.290322580645, 0.0967741935484], [-0.322580645161, 0.322580645161, 0.0967741935484], [-0.290322580645, 0.322580645161, 0.0967741935484], [-0.258064516129, 0.322580645161, 0.0967741935484], [-0.225806451613, 0.322580645161, 0.0967741935484], [-0.354838709677, 0.354838709677, 0.0967741935484], [-0.322580645161, 0.354838709677, 0.0967741935484], [-0.290322580645, 0.354838709677, 0.0967741935484], [-0.258064516129, 0.354838709677, 0.0967741935484], [-0.225806451613, 0.354838709677, 0.0967741935484], [-0.387096774194, 0.387096774194, 0.0967741935484], [-0.354838709677, 0.387096774194, 0.0967741935484], [-0.322580645161, 0.387096774194, 0.0967741935484], [-0.290322580645, 0.387096774194, 0.0967741935484], [-0.258064516129, 0.387096774194, 0.0967741935484], [-0.41935483871, 0.41935483871, 0.0967741935484], [-0.387096774194, 0.41935483871, 0.0967741935484], [-0.354838709677, 0.41935483871, 0.0967741935484], [-0.322580645161, 0.41935483871, 0.0967741935484], [-0.290322580645, 0.41935483871, 0.0967741935484], [-0.258064516129, 0.41935483871, 0.0967741935484], [-0.451612903226, 0.451612903226, 0.0967741935484], [-0.41935483871, 0.451612903226, 0.0967741935484], [-0.387096774194, 0.451612903226, 0.0967741935484], [-0.354838709677, 0.451612903226, 0.0967741935484], [-0.322580645161, 0.451612903226, 0.0967741935484], [-0.290322580645, 0.451612903226, 0.0967741935484], [-0.483870967742, 0.483870967742, 0.0967741935484], [-0.451612903226, 0.483870967742, 0.0967741935484], [-0.41935483871, 0.483870967742, 0.0967741935484], [-0.387096774194, 0.483870967742, 0.0967741935484], [-0.354838709677, 0.483870967742, 0.0967741935484], [-0.322580645161, 0.483870967742, 0.0967741935484], [-0.290322580645, 0.483870967742, 0.0967741935484], [-0.483870967742, -0.483870967742, 0.0967741935484], [-0.451612903226, -0.483870967742, 0.0967741935484], [-0.41935483871, -0.483870967742, 0.0967741935484], [-0.387096774194, -0.483870967742, 0.0967741935484], [-0.354838709677, -0.483870967742, 0.0967741935484], [-0.322580645161, -0.483870967742, 0.0967741935484], [-0.451612903226, -0.451612903226, 0.0967741935484], [-0.41935483871, -0.451612903226, 0.0967741935484], [-0.387096774194, -0.451612903226, 0.0967741935484], [-0.354838709677, -0.451612903226, 0.0967741935484], [-0.322580645161, -0.451612903226, 0.0967741935484], [-0.41935483871, -0.41935483871, 0.0967741935484], [-0.387096774194, -0.41935483871, 0.0967741935484], [-0.354838709677, -0.41935483871, 0.0967741935484], [-0.387096774194, -0.387096774194, 0.0967741935484], [-0.354838709677, -0.387096774194, 0.0967741935484], [0.129032258065, 0.129032258065, 0.129032258065], [0.161290322581, 0.129032258065, 0.129032258065], [0.193548387097, 0.129032258065, 0.129032258065], [0.225806451613, 0.129032258065, 0.129032258065], [0.258064516129, 0.129032258065, 0.129032258065], [0.290322580645, 0.129032258065, 0.129032258065], [0.322580645161, 0.129032258065, 0.129032258065], [0.354838709677, 0.129032258065, 0.129032258065], [-0.129032258065, 0.129032258065, 0.129032258065], [0.161290322581, 0.161290322581, 0.129032258065], [0.193548387097, 0.161290322581, 0.129032258065], [0.225806451613, 0.161290322581, 0.129032258065], [0.258064516129, 0.161290322581, 0.129032258065], [0.290322580645, 0.161290322581, 0.129032258065], [0.322580645161, 0.161290322581, 0.129032258065], [0.354838709677, 0.161290322581, 0.129032258065], [-0.161290322581, 0.161290322581, 0.129032258065], [0.193548387097, 0.193548387097, 0.129032258065], [0.225806451613, 0.193548387097, 0.129032258065], [0.258064516129, 0.193548387097, 0.129032258065], [0.290322580645, 0.193548387097, 0.129032258065], [0.322580645161, 0.193548387097, 0.129032258065], [-0.193548387097, 0.193548387097, 0.129032258065], [-0.161290322581, 0.193548387097, 0.129032258065], [0.225806451613, 0.225806451613, 0.129032258065], [0.258064516129, 0.225806451613, 0.129032258065], [0.290322580645, 0.225806451613, 0.129032258065], [0.322580645161, 0.225806451613, 0.129032258065], [-0.225806451613, 0.225806451613, 0.129032258065], [-0.193548387097, 0.225806451613, 0.129032258065], [0.258064516129, 0.258064516129, 0.129032258065], [0.290322580645, 0.258064516129, 0.129032258065], [-0.258064516129, 0.258064516129, 0.129032258065], [-0.225806451613, 0.258064516129, 0.129032258065], [-0.193548387097, 0.258064516129, 0.129032258065], [0.290322580645, 0.290322580645, 0.129032258065], [-0.290322580645, 0.290322580645, 0.129032258065], [-0.258064516129, 0.290322580645, 0.129032258065], [-0.225806451613, 0.290322580645, 0.129032258065], [-0.322580645161, 0.322580645161, 0.129032258065], [-0.290322580645, 0.322580645161, 0.129032258065], [-0.258064516129, 0.322580645161, 0.129032258065], [-0.225806451613, 0.322580645161, 0.129032258065], [-0.354838709677, 0.354838709677, 0.129032258065], [-0.322580645161, 0.354838709677, 0.129032258065], [-0.290322580645, 0.354838709677, 0.129032258065], [-0.258064516129, 0.354838709677, 0.129032258065], [-0.387096774194, 0.387096774194, 0.129032258065], [-0.354838709677, 0.387096774194, 0.129032258065], [-0.322580645161, 0.387096774194, 0.129032258065], [-0.290322580645, 0.387096774194, 0.129032258065], [-0.258064516129, 0.387096774194, 0.129032258065], [-0.41935483871, 0.41935483871, 0.129032258065], [-0.387096774194, 0.41935483871, 0.129032258065], [-0.354838709677, 0.41935483871, 0.129032258065], [-0.322580645161, 0.41935483871, 0.129032258065], [-0.290322580645, 0.41935483871, 0.129032258065], [-0.451612903226, 0.451612903226, 0.129032258065], [-0.41935483871, 0.451612903226, 0.129032258065], [-0.387096774194, 0.451612903226, 0.129032258065], [-0.354838709677, 0.451612903226, 0.129032258065], [-0.322580645161, 0.451612903226, 0.129032258065], [-0.290322580645, 0.451612903226, 0.129032258065], [-0.483870967742, 0.483870967742, 0.129032258065], [-0.451612903226, 0.483870967742, 0.129032258065], [-0.41935483871, 0.483870967742, 0.129032258065], [-0.387096774194, 0.483870967742, 0.129032258065], [-0.354838709677, 0.483870967742, 0.129032258065], [-0.322580645161, 0.483870967742, 0.129032258065], [-0.483870967742, -0.483870967742, 0.129032258065], [-0.451612903226, -0.483870967742, 0.129032258065], [-0.41935483871, -0.483870967742, 0.129032258065], [-0.387096774194, -0.483870967742, 0.129032258065], [-0.354838709677, -0.483870967742, 0.129032258065], [-0.322580645161, -0.483870967742, 0.129032258065], [-0.451612903226, -0.451612903226, 0.129032258065], [-0.41935483871, -0.451612903226, 0.129032258065], [-0.387096774194, -0.451612903226, 0.129032258065], [-0.354838709677, -0.451612903226, 0.129032258065], [-0.41935483871, -0.41935483871, 0.129032258065], [-0.387096774194, -0.41935483871, 0.129032258065], [-0.354838709677, -0.41935483871, 0.129032258065], [-0.387096774194, -0.387096774194, 0.129032258065], [0.161290322581, 0.161290322581, 0.161290322581], [0.193548387097, 0.161290322581, 0.161290322581], [0.225806451613, 0.161290322581, 0.161290322581], [0.258064516129, 0.161290322581, 0.161290322581], [0.290322580645, 0.161290322581, 0.161290322581], [0.322580645161, 0.161290322581, 0.161290322581], [-0.161290322581, 0.161290322581, 0.161290322581], [0.193548387097, 0.193548387097, 0.161290322581], [0.225806451613, 0.193548387097, 0.161290322581], [0.258064516129, 0.193548387097, 0.161290322581], [0.290322580645, 0.193548387097, 0.161290322581], [0.322580645161, 0.193548387097, 0.161290322581], [-0.193548387097, 0.193548387097, 0.161290322581], [0.225806451613, 0.225806451613, 0.161290322581], [0.258064516129, 0.225806451613, 0.161290322581], [0.290322580645, 0.225806451613, 0.161290322581], [-0.225806451613, 0.225806451613, 0.161290322581], [-0.193548387097, 0.225806451613, 0.161290322581], [0.258064516129, 0.258064516129, 0.161290322581], [0.290322580645, 0.258064516129, 0.161290322581], [-0.258064516129, 0.258064516129, 0.161290322581], [-0.225806451613, 0.258064516129, 0.161290322581], [-0.290322580645, 0.290322580645, 0.161290322581], [-0.258064516129, 0.290322580645, 0.161290322581], [-0.225806451613, 0.290322580645, 0.161290322581], [-0.322580645161, 0.322580645161, 0.161290322581], [-0.290322580645, 0.322580645161, 0.161290322581], [-0.258064516129, 0.322580645161, 0.161290322581], [-0.354838709677, 0.354838709677, 0.161290322581], [-0.322580645161, 0.354838709677, 0.161290322581], [-0.290322580645, 0.354838709677, 0.161290322581], [-0.258064516129, 0.354838709677, 0.161290322581], [-0.387096774194, 0.387096774194, 0.161290322581], [-0.354838709677, 0.387096774194, 0.161290322581], [-0.322580645161, 0.387096774194, 0.161290322581], [-0.290322580645, 0.387096774194, 0.161290322581], [-0.41935483871, 0.41935483871, 0.161290322581], [-0.387096774194, 0.41935483871, 0.161290322581], [-0.354838709677, 0.41935483871, 0.161290322581], [-0.322580645161, 0.41935483871, 0.161290322581], [-0.290322580645, 0.41935483871, 0.161290322581], [-0.451612903226, 0.451612903226, 0.161290322581], [-0.41935483871, 0.451612903226, 0.161290322581], [-0.387096774194, 0.451612903226, 0.161290322581], [-0.354838709677, 0.451612903226, 0.161290322581], [-0.322580645161, 0.451612903226, 0.161290322581], [-0.483870967742, 0.483870967742, 0.161290322581], [-0.451612903226, 0.483870967742, 0.161290322581], [-0.41935483871, 0.483870967742, 0.161290322581], [-0.387096774194, 0.483870967742, 0.161290322581], [-0.354838709677, 0.483870967742, 0.161290322581], [-0.322580645161, 0.483870967742, 0.161290322581], [-0.483870967742, -0.483870967742, 0.161290322581], [-0.451612903226, -0.483870967742, 0.161290322581], [-0.41935483871, -0.483870967742, 0.161290322581], [-0.387096774194, -0.483870967742, 0.161290322581], [-0.354838709677, -0.483870967742, 0.161290322581], [-0.451612903226, -0.451612903226, 0.161290322581], [-0.41935483871, -0.451612903226, 0.161290322581], [-0.387096774194, -0.451612903226, 0.161290322581], [-0.354838709677, -0.451612903226, 0.161290322581], [-0.41935483871, -0.41935483871, 0.161290322581], [-0.387096774194, -0.41935483871, 0.161290322581], [-0.387096774194, -0.387096774194, 0.161290322581], [0.193548387097, 0.193548387097, 0.193548387097], [0.225806451613, 0.193548387097, 0.193548387097], [0.258064516129, 0.193548387097, 0.193548387097], [0.290322580645, 0.193548387097, 0.193548387097], [-0.193548387097, 0.193548387097, 0.193548387097], [0.225806451613, 0.225806451613, 0.193548387097], [0.258064516129, 0.225806451613, 0.193548387097], [0.290322580645, 0.225806451613, 0.193548387097], [-0.225806451613, 0.225806451613, 0.193548387097], [0.258064516129, 0.258064516129, 0.193548387097], [-0.258064516129, 0.258064516129, 0.193548387097], [-0.225806451613, 0.258064516129, 0.193548387097], [-0.290322580645, 0.290322580645, 0.193548387097], [-0.258064516129, 0.290322580645, 0.193548387097], [-0.322580645161, 0.322580645161, 0.193548387097], [-0.290322580645, 0.322580645161, 0.193548387097], [-0.258064516129, 0.322580645161, 0.193548387097], [-0.354838709677, 0.354838709677, 0.193548387097], [-0.322580645161, 0.354838709677, 0.193548387097], [-0.290322580645, 0.354838709677, 0.193548387097], [-0.387096774194, 0.387096774194, 0.193548387097], [-0.354838709677, 0.387096774194, 0.193548387097], [-0.322580645161, 0.387096774194, 0.193548387097], [-0.290322580645, 0.387096774194, 0.193548387097], [-0.41935483871, 0.41935483871, 0.193548387097], [-0.387096774194, 0.41935483871, 0.193548387097], [-0.354838709677, 0.41935483871, 0.193548387097], [-0.322580645161, 0.41935483871, 0.193548387097], [-0.451612903226, 0.451612903226, 0.193548387097], [-0.41935483871, 0.451612903226, 0.193548387097], [-0.387096774194, 0.451612903226, 0.193548387097], [-0.354838709677, 0.451612903226, 0.193548387097], [-0.322580645161, 0.451612903226, 0.193548387097], [-0.483870967742, 0.483870967742, 0.193548387097], [-0.451612903226, 0.483870967742, 0.193548387097], [-0.41935483871, 0.483870967742, 0.193548387097], [-0.387096774194, 0.483870967742, 0.193548387097], [-0.354838709677, 0.483870967742, 0.193548387097], [-0.483870967742, -0.483870967742, 0.193548387097], [-0.451612903226, -0.483870967742, 0.193548387097], [-0.41935483871, -0.483870967742, 0.193548387097], [-0.387096774194, -0.483870967742, 0.193548387097], [-0.354838709677, -0.483870967742, 0.193548387097], [-0.451612903226, -0.451612903226, 0.193548387097], [-0.41935483871, -0.451612903226, 0.193548387097], [-0.387096774194, -0.451612903226, 0.193548387097], [-0.41935483871, -0.41935483871, 0.193548387097], [-0.387096774194, -0.41935483871, 0.193548387097], [0.225806451613, 0.225806451613, 0.225806451613], [0.258064516129, 0.225806451613, 0.225806451613], [-0.225806451613, 0.225806451613, 0.225806451613], [0.258064516129, 0.258064516129, 0.225806451613], [-0.258064516129, 0.258064516129, 0.225806451613], [-0.290322580645, 0.290322580645, 0.225806451613], [-0.258064516129, 0.290322580645, 0.225806451613], [-0.322580645161, 0.322580645161, 0.225806451613], [-0.290322580645, 0.322580645161, 0.225806451613], [-0.354838709677, 0.354838709677, 0.225806451613], [-0.322580645161, 0.354838709677, 0.225806451613], [-0.290322580645, 0.354838709677, 0.225806451613], [-0.387096774194, 0.387096774194, 0.225806451613], [-0.354838709677, 0.387096774194, 0.225806451613], [-0.322580645161, 0.387096774194, 0.225806451613], [-0.41935483871, 0.41935483871, 0.225806451613], [-0.387096774194, 0.41935483871, 0.225806451613], [-0.354838709677, 0.41935483871, 0.225806451613], [-0.322580645161, 0.41935483871, 0.225806451613], [-0.451612903226, 0.451612903226, 0.225806451613], [-0.41935483871, 0.451612903226, 0.225806451613], [-0.387096774194, 0.451612903226, 0.225806451613], [-0.354838709677, 0.451612903226, 0.225806451613], [-0.483870967742, 0.483870967742, 0.225806451613], [-0.451612903226, 0.483870967742, 0.225806451613], [-0.41935483871, 0.483870967742, 0.225806451613], [-0.387096774194, 0.483870967742, 0.225806451613], [-0.354838709677, 0.483870967742, 0.225806451613], [-0.483870967742, -0.483870967742, 0.225806451613], [-0.451612903226, -0.483870967742, 0.225806451613], [-0.41935483871, -0.483870967742, 0.225806451613], [-0.387096774194, -0.483870967742, 0.225806451613], [-0.451612903226, -0.451612903226, 0.225806451613], [-0.41935483871, -0.451612903226, 0.225806451613], [-0.387096774194, -0.451612903226, 0.225806451613], [-0.41935483871, -0.41935483871, 0.225806451613], [-0.258064516129, 0.258064516129, 0.258064516129], [-0.290322580645, 0.290322580645, 0.258064516129], [-0.322580645161, 0.322580645161, 0.258064516129], [-0.290322580645, 0.322580645161, 0.258064516129], [-0.354838709677, 0.354838709677, 0.258064516129], [-0.322580645161, 0.354838709677, 0.258064516129], [-0.387096774194, 0.387096774194, 0.258064516129], [-0.354838709677, 0.387096774194, 0.258064516129], [-0.322580645161, 0.387096774194, 0.258064516129], [-0.41935483871, 0.41935483871, 0.258064516129], [-0.387096774194, 0.41935483871, 0.258064516129], [-0.354838709677, 0.41935483871, 0.258064516129], [-0.451612903226, 0.451612903226, 0.258064516129], [-0.41935483871, 0.451612903226, 0.258064516129], [-0.387096774194, 0.451612903226, 0.258064516129], [-0.354838709677, 0.451612903226, 0.258064516129], [-0.483870967742, 0.483870967742, 0.258064516129], [-0.451612903226, 0.483870967742, 0.258064516129], [-0.41935483871, 0.483870967742, 0.258064516129], [-0.387096774194, 0.483870967742, 0.258064516129], [-0.483870967742, -0.483870967742, 0.258064516129], [-0.451612903226, -0.483870967742, 0.258064516129], [-0.41935483871, -0.483870967742, 0.258064516129], [-0.387096774194, -0.483870967742, 0.258064516129], [-0.451612903226, -0.451612903226, 0.258064516129], [-0.41935483871, -0.451612903226, 0.258064516129], [-0.41935483871, -0.41935483871, 0.258064516129], [-0.290322580645, 0.290322580645, 0.290322580645], [-0.322580645161, 0.322580645161, 0.290322580645], [-0.354838709677, 0.354838709677, 0.290322580645], [-0.322580645161, 0.354838709677, 0.290322580645], [-0.387096774194, 0.387096774194, 0.290322580645], [-0.354838709677, 0.387096774194, 0.290322580645], [-0.41935483871, 0.41935483871, 0.290322580645], [-0.387096774194, 0.41935483871, 0.290322580645], [-0.354838709677, 0.41935483871, 0.290322580645], [-0.451612903226, 0.451612903226, 0.290322580645], [-0.41935483871, 0.451612903226, 0.290322580645], [-0.387096774194, 0.451612903226, 0.290322580645], [-0.483870967742, 0.483870967742, 0.290322580645], [-0.451612903226, 0.483870967742, 0.290322580645], [-0.41935483871, 0.483870967742, 0.290322580645], [-0.387096774194, 0.483870967742, 0.290322580645], [-0.483870967742, -0.483870967742, 0.290322580645], [-0.451612903226, -0.483870967742, 0.290322580645], [-0.41935483871, -0.483870967742, 0.290322580645], [-0.451612903226, -0.451612903226, 0.290322580645], [-0.41935483871, -0.451612903226, 0.290322580645], [-0.322580645161, 0.322580645161, 0.322580645161], [-0.354838709677, 0.354838709677, 0.322580645161], [-0.387096774194, 0.387096774194, 0.322580645161], [-0.354838709677, 0.387096774194, 0.322580645161], [-0.41935483871, 0.41935483871, 0.322580645161], [-0.387096774194, 0.41935483871, 0.322580645161], [-0.451612903226, 0.451612903226, 0.322580645161], [-0.41935483871, 0.451612903226, 0.322580645161], [-0.387096774194, 0.451612903226, 0.322580645161], [-0.483870967742, 0.483870967742, 0.322580645161], [-0.451612903226, 0.483870967742, 0.322580645161], [-0.41935483871, 0.483870967742, 0.322580645161], [-0.483870967742, -0.483870967742, 0.322580645161], [-0.451612903226, -0.483870967742, 0.322580645161], [-0.41935483871, -0.483870967742, 0.322580645161], [-0.451612903226, -0.451612903226, 0.322580645161], [-0.354838709677, 0.354838709677, 0.354838709677], [-0.387096774194, 0.387096774194, 0.354838709677], [-0.41935483871, 0.41935483871, 0.354838709677], [-0.387096774194, 0.41935483871, 0.354838709677], [-0.451612903226, 0.451612903226, 0.354838709677], [-0.41935483871, 0.451612903226, 0.354838709677], [-0.483870967742, 0.483870967742, 0.354838709677], [-0.451612903226, 0.483870967742, 0.354838709677], [-0.41935483871, 0.483870967742, 0.354838709677], [-0.483870967742, -0.483870967742, 0.354838709677], [-0.451612903226, -0.483870967742, 0.354838709677], [-0.451612903226, -0.451612903226, 0.354838709677], [-0.387096774194, 0.387096774194, 0.387096774194], [-0.41935483871, 0.41935483871, 0.387096774194], [-0.451612903226, 0.451612903226, 0.387096774194], [-0.41935483871, 0.451612903226, 0.387096774194], [-0.483870967742, 0.483870967742, 0.387096774194], [-0.451612903226, 0.483870967742, 0.387096774194], [-0.483870967742, -0.483870967742, 0.387096774194], [-0.451612903226, -0.483870967742, 0.387096774194], [-0.41935483871, 0.41935483871, 0.41935483871], [-0.451612903226, 0.451612903226, 0.41935483871], [-0.483870967742, 0.483870967742, 0.41935483871], [-0.451612903226, 0.483870967742, 0.41935483871], [-0.483870967742, -0.483870967742, 0.41935483871], [-0.451612903226, 0.451612903226, 0.451612903226], [-0.483870967742, 0.483870967742, 0.451612903226], [-0.483870967742, -0.483870967742, 0.451612903226], [-0.483870967742, 0.483870967742, 0.483870967742]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 8.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 6.0, 8.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 8.0, 6.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 0.0, 2.531856], [-1.867935, 1.867935, 1.265928], [-1.867935, -1.867935, 1.265928]], "a": 2.531856, "b": 2.929323476441958, "c": 2.929323476441958, "alpha": 79.23625143419817, "beta": 64.39546545281307, "gamma": 64.39546545281307, "volume": 17.668208531460103}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 9, 9]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Fast", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "KPAR": 8, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}}}, "magnetism": {"total_magnetization": 0.0054114}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": 0.004}}]}, "nsites": 1, "elements": ["V"], "nelements": 1, "composition": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "formula_anonymous": "A", "chemsys": "V", "volume": 13.399593956465264, "density": 6.31290394179037, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555dc"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-04 00:04:19.858000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2013-05-24 20:34:07"}, "task_ids": ["mp-1418694", "mp-919995", "mp-604313", "mp-918988", "mp-906165"], "deprecated_tasks": [], "task_id": "mp-604313", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-918988", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-01-25 21:06:27"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-918988", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-01-25 21:06:27"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1418694", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-04 00:04:19.858000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1418694", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-04 00:04:19.858000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1418694", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-04 00:04:19.858000"}}], "task_types": {"mp-906165": "GGA Static", "mp-604313": "GGA Structure Optimization", "mp-918988": "GGA NSCF Uniform", "mp-919995": "GGA NSCF Line", "mp-1418694": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-919995", "cbm": null, "dos_task": "mp-918988", "efermi": -0.23540716, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-918988", "vbm": null}, "energy": -6.58849649, "energy_per_atom": -1.6471241225, "entries": {"gga": {"composition": {"Li": 4.0}, "energy": -6.58849649, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1418694"}, "entry_id": "mp-604313"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "incar": {"ALGO": "Normal", "EDIFF": 4e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 20, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 169, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0, 0.0227272727273, 0.0], [0.0, 0.0454545454545, 0.0], [0.0, 0.0681818181818, 0.0], [0.0, 0.0909090909091, 0.0], [0.0, 0.113636363636, 0.0], [0.0, 0.136363636364, 0.0], [0.0, 0.159090909091, 0.0], [0.0, 0.181818181818, 0.0], [0.0, 0.204545454545, 0.0], [0.0, 0.227272727273, 0.0], [0.0, 0.25, 0.0], [0.0, 0.272727272727, 0.0], [0.0, 0.295454545455, 0.0], [0.0, 0.318181818182, 0.0], [0.0, 0.340909090909, 0.0], [0.0, 0.363636363636, 0.0], [0.0, 0.386363636364, 0.0], [0.0, 0.409090909091, 0.0], [0.0, 0.431818181818, 0.0], [0.0, 0.454545454545, 0.0], [0.0, 0.477272727273, 0.0], [0.0, 0.5, 0.0], [0.0, 0.5, 0.0], [0.0227272727273, 0.5, 0.0], [0.0454545454545, 0.5, 0.0], [0.0681818181818, 0.5, 0.0], [0.0909090909091, 0.5, 0.0], [0.113636363636, 0.5, 0.0], [0.136363636364, 0.5, 0.0], [0.159090909091, 0.5, 0.0], [0.181818181818, 0.5, 0.0], [0.204545454545, 0.5, 0.0], [0.227272727273, 0.5, 0.0], [0.25, 0.5, 0.0], [0.272727272727, 0.5, 0.0], [0.295454545455, 0.5, 0.0], [0.318181818182, 0.5, 0.0], [0.340909090909, 0.5, 0.0], [0.363636363636, 0.5, 0.0], [0.386363636364, 0.5, 0.0], [0.409090909091, 0.5, 0.0], [0.431818181818, 0.5, 0.0], [0.454545454545, 0.5, 0.0], [0.477272727273, 0.5, 0.0], [0.5, 0.5, 0.0], [0.5, 0.5, 0.0], [0.483333333333, 0.483333333333, 0.0], [0.466666666667, 0.466666666667, 0.0], [0.45, 0.45, 0.0], [0.433333333333, 0.433333333333, 0.0], [0.416666666667, 0.416666666667, 0.0], [0.4, 0.4, 0.0], [0.383333333333, 0.383333333333, 0.0], [0.366666666667, 0.366666666667, 0.0], [0.35, 0.35, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.316666666667, 0.316666666667, 0.0], [0.3, 0.3, 0.0], [0.283333333333, 0.283333333333, 0.0], [0.266666666667, 0.266666666667, 0.0], [0.25, 0.25, 0.0], [0.233333333333, 0.233333333333, 0.0], [0.216666666667, 0.216666666667, 0.0], [0.2, 0.2, 0.0], [0.183333333333, 0.183333333333, 0.0], [0.166666666667, 0.166666666667, 0.0], [0.15, 0.15, 0.0], [0.133333333333, 0.133333333333, 0.0], [0.116666666667, 0.116666666667, 0.0], [0.1, 0.1, 0.0], [0.0833333333333, 0.0833333333333, 0.0], [0.0666666666667, 0.0666666666667, 0.0], [0.05, 0.05, 0.0], [0.0333333333333, 0.0333333333333, 0.0], [0.0166666666667, 0.0166666666667, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0135135135135, 0.0135135135135, 0.0135135135135], [0.027027027027, 0.027027027027, 0.027027027027], [0.0405405405405, 0.0405405405405, 0.0405405405405], [0.0540540540541, 0.0540540540541, 0.0540540540541], [0.0675675675676, 0.0675675675676, 0.0675675675676], [0.0810810810811, 0.0810810810811, 0.0810810810811], [0.0945945945946, 0.0945945945946, 0.0945945945946], [0.108108108108, 0.108108108108, 0.108108108108], [0.121621621622, 0.121621621622, 0.121621621622], [0.135135135135, 0.135135135135, 0.135135135135], [0.148648648649, 0.148648648649, 0.148648648649], [0.162162162162, 0.162162162162, 0.162162162162], [0.175675675676, 0.175675675676, 0.175675675676], [0.189189189189, 0.189189189189, 0.189189189189], [0.202702702703, 0.202702702703, 0.202702702703], [0.216216216216, 0.216216216216, 0.216216216216], [0.22972972973, 0.22972972973, 0.22972972973], [0.243243243243, 0.243243243243, 0.243243243243], [0.256756756757, 0.256756756757, 0.256756756757], [0.27027027027, 0.27027027027, 0.27027027027], [0.283783783784, 0.283783783784, 0.283783783784], [0.297297297297, 0.297297297297, 0.297297297297], [0.310810810811, 0.310810810811, 0.310810810811], [0.324324324324, 0.324324324324, 0.324324324324], [0.337837837838, 0.337837837838, 0.337837837838], [0.351351351351, 0.351351351351, 0.351351351351], [0.364864864865, 0.364864864865, 0.364864864865], [0.378378378378, 0.378378378378, 0.378378378378], [0.391891891892, 0.391891891892, 0.391891891892], [0.405405405405, 0.405405405405, 0.405405405405], [0.418918918919, 0.418918918919, 0.418918918919], [0.432432432432, 0.432432432432, 0.432432432432], [0.445945945946, 0.445945945946, 0.445945945946], [0.459459459459, 0.459459459459, 0.459459459459], [0.472972972973, 0.472972972973, 0.472972972973], [0.486486486486, 0.486486486486, 0.486486486486], [0.5, 0.5, 0.5], [0.5, 0.5, 0.5], [0.483333333333, 0.5, 0.483333333333], [0.466666666667, 0.5, 0.466666666667], [0.45, 0.5, 0.45], [0.433333333333, 0.5, 0.433333333333], [0.416666666667, 0.5, 0.416666666667], [0.4, 0.5, 0.4], [0.383333333333, 0.5, 0.383333333333], [0.366666666667, 0.5, 0.366666666667], [0.35, 0.5, 0.35], [0.333333333333, 0.5, 0.333333333333], [0.316666666667, 0.5, 0.316666666667], [0.3, 0.5, 0.3], [0.283333333333, 0.5, 0.283333333333], [0.266666666667, 0.5, 0.266666666667], [0.25, 0.5, 0.25], [0.233333333333, 0.5, 0.233333333333], [0.216666666667, 0.5, 0.216666666667], [0.2, 0.5, 0.2], [0.183333333333, 0.5, 0.183333333333], [0.166666666667, 0.5, 0.166666666667], [0.15, 0.5, 0.15], [0.133333333333, 0.5, 0.133333333333], [0.116666666667, 0.5, 0.116666666667], [0.1, 0.5, 0.1], [0.0833333333333, 0.5, 0.0833333333333], [0.0666666666667, 0.5, 0.0666666666667], [0.05, 0.5, 0.05], [0.0333333333333, 0.5, 0.0333333333333], [0.0166666666667, 0.5, 0.0166666666667], [0.0, 0.5, 0.0], [0.5, 0.5, 0.0], [0.5, 0.5, 0.0227272727273], [0.5, 0.5, 0.0454545454545], [0.5, 0.5, 0.0681818181818], [0.5, 0.5, 0.0909090909091], [0.5, 0.5, 0.113636363636], [0.5, 0.5, 0.136363636364], [0.5, 0.5, 0.159090909091], [0.5, 0.5, 0.181818181818], [0.5, 0.5, 0.204545454545], [0.5, 0.5, 0.227272727273], [0.5, 0.5, 0.25], [0.5, 0.5, 0.272727272727], [0.5, 0.5, 0.295454545455], [0.5, 0.5, 0.318181818182], [0.5, 0.5, 0.340909090909], [0.5, 0.5, 0.363636363636], [0.5, 0.5, 0.386363636364], [0.5, 0.5, 0.409090909091], [0.5, 0.5, 0.431818181818], [0.5, 0.5, 0.454545454545], [0.5, 0.5, 0.477272727273], [0.5, 0.5, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "X", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "R", "R", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "X", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "R"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "incar": {"ALGO": "Normal", "EDIFF": 4e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 15, "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 165, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.0588235294118, 0.0, 0.0], [0.117647058824, 0.0, 0.0], [0.176470588235, 0.0, 0.0], [0.235294117647, 0.0, 0.0], [0.294117647059, 0.0, 0.0], [0.352941176471, 0.0, 0.0], [0.411764705882, 0.0, 0.0], [0.470588235294, 0.0, 0.0], [0.0588235294118, 0.0588235294118, 0.0], [0.117647058824, 0.0588235294118, 0.0], [0.176470588235, 0.0588235294118, 0.0], [0.235294117647, 0.0588235294118, 0.0], [0.294117647059, 0.0588235294118, 0.0], [0.352941176471, 0.0588235294118, 0.0], [0.411764705882, 0.0588235294118, 0.0], [0.470588235294, 0.0588235294118, 0.0], [0.117647058824, 0.117647058824, 0.0], [0.176470588235, 0.117647058824, 0.0], [0.235294117647, 0.117647058824, 0.0], [0.294117647059, 0.117647058824, 0.0], [0.352941176471, 0.117647058824, 0.0], [0.411764705882, 0.117647058824, 0.0], [0.470588235294, 0.117647058824, 0.0], [0.176470588235, 0.176470588235, 0.0], [0.235294117647, 0.176470588235, 0.0], [0.294117647059, 0.176470588235, 0.0], [0.352941176471, 0.176470588235, 0.0], [0.411764705882, 0.176470588235, 0.0], [0.470588235294, 0.176470588235, 0.0], [0.235294117647, 0.235294117647, 0.0], [0.294117647059, 0.235294117647, 0.0], [0.352941176471, 0.235294117647, 0.0], [0.411764705882, 0.235294117647, 0.0], [0.470588235294, 0.235294117647, 0.0], [0.294117647059, 0.294117647059, 0.0], [0.352941176471, 0.294117647059, 0.0], [0.411764705882, 0.294117647059, 0.0], [0.470588235294, 0.294117647059, 0.0], [0.352941176471, 0.352941176471, 0.0], [0.411764705882, 0.352941176471, 0.0], [0.470588235294, 0.352941176471, 0.0], [0.411764705882, 0.411764705882, 0.0], [0.470588235294, 0.411764705882, 0.0], [0.470588235294, 0.470588235294, 0.0], [0.0588235294118, 0.0588235294118, 0.0588235294118], [0.117647058824, 0.0588235294118, 0.0588235294118], [0.176470588235, 0.0588235294118, 0.0588235294118], [0.235294117647, 0.0588235294118, 0.0588235294118], [0.294117647059, 0.0588235294118, 0.0588235294118], [0.352941176471, 0.0588235294118, 0.0588235294118], [0.411764705882, 0.0588235294118, 0.0588235294118], [0.470588235294, 0.0588235294118, 0.0588235294118], [0.117647058824, 0.117647058824, 0.0588235294118], [0.176470588235, 0.117647058824, 0.0588235294118], [0.235294117647, 0.117647058824, 0.0588235294118], [0.294117647059, 0.117647058824, 0.0588235294118], [0.352941176471, 0.117647058824, 0.0588235294118], [0.411764705882, 0.117647058824, 0.0588235294118], [0.470588235294, 0.117647058824, 0.0588235294118], [0.176470588235, 0.176470588235, 0.0588235294118], [0.235294117647, 0.176470588235, 0.0588235294118], [0.294117647059, 0.176470588235, 0.0588235294118], [0.352941176471, 0.176470588235, 0.0588235294118], [0.411764705882, 0.176470588235, 0.0588235294118], [0.470588235294, 0.176470588235, 0.0588235294118], [0.235294117647, 0.235294117647, 0.0588235294118], [0.294117647059, 0.235294117647, 0.0588235294118], [0.352941176471, 0.235294117647, 0.0588235294118], [0.411764705882, 0.235294117647, 0.0588235294118], [0.470588235294, 0.235294117647, 0.0588235294118], [0.294117647059, 0.294117647059, 0.0588235294118], [0.352941176471, 0.294117647059, 0.0588235294118], [0.411764705882, 0.294117647059, 0.0588235294118], [0.470588235294, 0.294117647059, 0.0588235294118], [0.352941176471, 0.352941176471, 0.0588235294118], [0.411764705882, 0.352941176471, 0.0588235294118], [0.470588235294, 0.352941176471, 0.0588235294118], [0.411764705882, 0.411764705882, 0.0588235294118], [0.470588235294, 0.411764705882, 0.0588235294118], [0.470588235294, 0.470588235294, 0.0588235294118], [0.117647058824, 0.117647058824, 0.117647058824], [0.176470588235, 0.117647058824, 0.117647058824], [0.235294117647, 0.117647058824, 0.117647058824], [0.294117647059, 0.117647058824, 0.117647058824], [0.352941176471, 0.117647058824, 0.117647058824], [0.411764705882, 0.117647058824, 0.117647058824], [0.470588235294, 0.117647058824, 0.117647058824], [0.176470588235, 0.176470588235, 0.117647058824], [0.235294117647, 0.176470588235, 0.117647058824], [0.294117647059, 0.176470588235, 0.117647058824], [0.352941176471, 0.176470588235, 0.117647058824], [0.411764705882, 0.176470588235, 0.117647058824], [0.470588235294, 0.176470588235, 0.117647058824], [0.235294117647, 0.235294117647, 0.117647058824], [0.294117647059, 0.235294117647, 0.117647058824], [0.352941176471, 0.235294117647, 0.117647058824], [0.411764705882, 0.235294117647, 0.117647058824], [0.470588235294, 0.235294117647, 0.117647058824], [0.294117647059, 0.294117647059, 0.117647058824], [0.352941176471, 0.294117647059, 0.117647058824], [0.411764705882, 0.294117647059, 0.117647058824], [0.470588235294, 0.294117647059, 0.117647058824], [0.352941176471, 0.352941176471, 0.117647058824], [0.411764705882, 0.352941176471, 0.117647058824], [0.470588235294, 0.352941176471, 0.117647058824], [0.411764705882, 0.411764705882, 0.117647058824], [0.470588235294, 0.411764705882, 0.117647058824], [0.470588235294, 0.470588235294, 0.117647058824], [0.176470588235, 0.176470588235, 0.176470588235], [0.235294117647, 0.176470588235, 0.176470588235], [0.294117647059, 0.176470588235, 0.176470588235], [0.352941176471, 0.176470588235, 0.176470588235], [0.411764705882, 0.176470588235, 0.176470588235], [0.470588235294, 0.176470588235, 0.176470588235], [0.235294117647, 0.235294117647, 0.176470588235], [0.294117647059, 0.235294117647, 0.176470588235], [0.352941176471, 0.235294117647, 0.176470588235], [0.411764705882, 0.235294117647, 0.176470588235], [0.470588235294, 0.235294117647, 0.176470588235], [0.294117647059, 0.294117647059, 0.176470588235], [0.352941176471, 0.294117647059, 0.176470588235], [0.411764705882, 0.294117647059, 0.176470588235], [0.470588235294, 0.294117647059, 0.176470588235], [0.352941176471, 0.352941176471, 0.176470588235], [0.411764705882, 0.352941176471, 0.176470588235], [0.470588235294, 0.352941176471, 0.176470588235], [0.411764705882, 0.411764705882, 0.176470588235], [0.470588235294, 0.411764705882, 0.176470588235], [0.470588235294, 0.470588235294, 0.176470588235], [0.235294117647, 0.235294117647, 0.235294117647], [0.294117647059, 0.235294117647, 0.235294117647], [0.352941176471, 0.235294117647, 0.235294117647], [0.411764705882, 0.235294117647, 0.235294117647], [0.470588235294, 0.235294117647, 0.235294117647], [0.294117647059, 0.294117647059, 0.235294117647], [0.352941176471, 0.294117647059, 0.235294117647], [0.411764705882, 0.294117647059, 0.235294117647], [0.470588235294, 0.294117647059, 0.235294117647], [0.352941176471, 0.352941176471, 0.235294117647], [0.411764705882, 0.352941176471, 0.235294117647], [0.470588235294, 0.352941176471, 0.235294117647], [0.411764705882, 0.411764705882, 0.235294117647], [0.470588235294, 0.411764705882, 0.235294117647], [0.470588235294, 0.470588235294, 0.235294117647], [0.294117647059, 0.294117647059, 0.294117647059], [0.352941176471, 0.294117647059, 0.294117647059], [0.411764705882, 0.294117647059, 0.294117647059], [0.470588235294, 0.294117647059, 0.294117647059], [0.352941176471, 0.352941176471, 0.294117647059], [0.411764705882, 0.352941176471, 0.294117647059], [0.470588235294, 0.352941176471, 0.294117647059], [0.411764705882, 0.411764705882, 0.294117647059], [0.470588235294, 0.411764705882, 0.294117647059], [0.470588235294, 0.470588235294, 0.294117647059], [0.352941176471, 0.352941176471, 0.352941176471], [0.411764705882, 0.352941176471, 0.352941176471], [0.470588235294, 0.352941176471, 0.352941176471], [0.411764705882, 0.411764705882, 0.352941176471], [0.470588235294, 0.411764705882, 0.352941176471], [0.470588235294, 0.470588235294, 0.352941176471], [0.411764705882, 0.411764705882, 0.411764705882], [0.470588235294, 0.411764705882, 0.411764705882], [0.470588235294, 0.470588235294, 0.411764705882], [0.470588235294, 0.470588235294, 0.470588235294]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 12.0, 24.0, 12.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 24.0, 48.0, 24.0, 8.0, 24.0, 24.0, 8.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0002, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[6, 6, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0002, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NPAR": 2, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[6, 6, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.391, 0.0, 0.0], [-0.0, 2.391, 0.0], [0.0, 0.0, 2.391]], "a": 2.391, "b": 2.391, "c": 2.391, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.669062471}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [2.0921250000000002, 0.298875, 1.494375], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [0.896625, 0.896625, 0.896625], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.298875, 1.494375, 2.0921250000000002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [1.494375, 2.0921250000000002, 0.298875], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}}}, "magnetism": {"total_magnetization": 0.0018553}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {"magmom": 0.0}}]}, "nsites": 4, "elements": ["Li"], "nelements": 1, "composition": {"Li": 4.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 88.57255898929115, "density": 0.5205134234874493, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P4_132", "number": 213, "point_group": "432", "crystal_system": "cubic", "hall": "P 4bd 2ab 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555d8"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:04:42.910000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 11:47:14"}, "task_ids": ["mp-1063039", "mp-1425567", "mp-1063018", "mp-1063005", "mp-1063050"], "deprecated_tasks": [], "task_id": "mp-1063005", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-1063039", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 11:50:11"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-1063039", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 11:50:11"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1425567", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:04:42.910000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1425567", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:04:42.910000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1425567", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:04:42.910000"}}], "task_types": {"mp-1063005": "GGA Structure Optimization", "mp-1063018": "GGA Static", "mp-1063039": "GGA NSCF Uniform", "mp-1063050": "GGA NSCF Line", "mp-1425567": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-1063050", "cbm": null, "dos_task": "mp-1063039", "efermi": 0.67033708, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-1063039", "vbm": null}, "energy": -5.671036, "energy_per_atom": -1.8903453333333333, "entries": {"gga": {"composition": {"Li": 3.0}, "energy": -5.671036, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1425567"}, "entry_id": "mp-1063005"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.4163482473919997, -1.444604], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 0.00015, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 10, "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 742, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.00675675675676, 0.0, 0.0], [0.0135135135135, 0.0, 0.0], [0.0202702702703, -1.73472347598e-18, 0.0], [0.027027027027, 0.0, 0.0], [0.0337837837838, 0.0, 0.0], [0.0405405405405, -3.46944695195e-18, 0.0], [0.0472972972973, -3.46944695195e-18, 0.0], [0.0540540540541, 0.0, 0.0], [0.0608108108108, 0.0, 0.0], [0.0675675675676, 0.0, 0.0], [0.0743243243243, 0.0, 0.0], [0.0810810810811, -6.93889390391e-18, 0.0], [0.0878378378378, -6.93889390391e-18, 0.0], [0.0945945945946, -6.93889390391e-18, 0.0], [0.101351351351, 0.0, 0.0], [0.108108108108, 0.0, 0.0], [0.114864864865, -6.93889390391e-18, 0.0], [0.121621621622, 0.0, 0.0], [0.128378378378, 0.0, 0.0], [0.135135135135, 0.0, 0.0], [0.141891891892, 0.0, 0.0], [0.148648648649, 0.0, 0.0], [0.155405405405, 0.0, 0.0], [0.162162162162, -1.38777878078e-17, 0.0], [0.168918918919, 1.38777878078e-17, 0.0], [0.175675675676, -1.38777878078e-17, 0.0], [0.182432432432, 0.0, 0.0], [0.189189189189, -1.38777878078e-17, 0.0], [0.195945945946, 1.38777878078e-17, 0.0], [0.202702702703, 0.0, 0.0], [0.209459459459, 0.0, 0.0], [0.216216216216, 0.0, 0.0], [0.222972972973, -1.38777878078e-17, 0.0], [0.22972972973, -1.38777878078e-17, 0.0], [0.236486486486, 0.0, 0.0], [0.243243243243, 0.0, 0.0], [0.25, 0.0, 0.0], [0.256756756757, 0.0, 0.0], [0.263513513514, 0.0, 0.0], [0.27027027027, 0.0, 0.0], [0.277027027027, 0.0, 0.0], [0.283783783784, 0.0, 0.0], [0.290540540541, 0.0, 0.0], [0.297297297297, 0.0, 0.0], [0.304054054054, 0.0, 0.0], [0.310810810811, 0.0, 0.0], [0.317567567568, -2.77555756156e-17, 0.0], [0.324324324324, -2.77555756156e-17, 0.0], [0.331081081081, 0.0, 0.0], [0.337837837838, 2.77555756156e-17, 0.0], [0.344594594595, 0.0, 0.0], [0.351351351351, -2.77555756156e-17, 0.0], [0.358108108108, 2.77555756156e-17, 0.0], [0.364864864865, 0.0, 0.0], [0.371621621622, 0.0, 0.0], [0.378378378378, -2.77555756156e-17, 0.0], [0.385135135135, -2.77555756156e-17, 0.0], [0.391891891892, 2.77555756156e-17, 0.0], [0.398648648649, -2.77555756156e-17, 0.0], [0.405405405405, 0.0, 0.0], [0.412162162162, 0.0, 0.0], [0.418918918919, 0.0, 0.0], [0.425675675676, 0.0, 0.0], [0.432432432432, 0.0, 0.0], [0.439189189189, 2.77555756156e-17, 0.0], [0.445945945946, -2.77555756156e-17, 0.0], [0.452702702703, 0.0, 0.0], [0.459459459459, -2.77555756156e-17, 0.0], [0.466216216216, 2.77555756156e-17, 0.0], [0.472972972973, 0.0, 0.0], [0.47972972973, 0.0, 0.0], [0.486486486486, 0.0, 0.0], [0.493243243243, 2.77555756156e-17, 0.0], [0.5, 0.0, 0.0], [0.5, 0.0, 0.0], [0.496124031008, 0.0077519379845, 0.0], [0.492248062016, 0.015503875969, 0.0], [0.488372093023, 0.0232558139535, 0.0], [0.484496124031, 0.031007751938, 0.0], [0.480620155039, 0.0387596899225, 0.0], [0.476744186047, 0.046511627907, 0.0], [0.472868217054, 0.0542635658915, 0.0], [0.468992248062, 0.062015503876, 0.0], [0.46511627907, 0.0697674418605, 0.0], [0.461240310078, 0.077519379845, 0.0], [0.457364341085, 0.0852713178295, 0.0], [0.453488372093, 0.093023255814, 0.0], [0.449612403101, 0.100775193798, 0.0], [0.445736434109, 0.108527131783, 0.0], [0.441860465116, 0.116279069767, 0.0], [0.437984496124, 0.124031007752, 0.0], [0.434108527132, 0.131782945736, 0.0], [0.43023255814, 0.139534883721, 0.0], [0.426356589147, 0.147286821705, 0.0], [0.422480620155, 0.15503875969, 0.0], [0.418604651163, 0.162790697674, 0.0], [0.414728682171, 0.170542635659, 0.0], [0.410852713178, 0.178294573643, 0.0], [0.406976744186, 0.186046511628, 0.0], [0.403100775194, 0.193798449612, 0.0], [0.399224806202, 0.201550387597, 0.0], [0.395348837209, 0.209302325581, 0.0], [0.391472868217, 0.217054263566, 0.0], [0.387596899225, 0.22480620155, 0.0], [0.383720930233, 0.232558139535, 0.0], [0.37984496124, 0.240310077519, 0.0], [0.375968992248, 0.248062015504, 0.0], [0.372093023256, 0.255813953488, 0.0], [0.368217054264, 0.263565891473, 0.0], [0.364341085271, 0.271317829457, 0.0], [0.360465116279, 0.279069767442, 0.0], [0.356589147287, 0.286821705426, 0.0], [0.352713178295, 0.294573643411, 0.0], [0.348837209302, 0.302325581395, 0.0], [0.34496124031, 0.31007751938, 0.0], [0.341085271318, 0.317829457364, 0.0], [0.337209302326, 0.325581395349, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.329457364341, 0.329457364341, 0.0], [0.325581395349, 0.325581395349, 0.0], [0.321705426357, 0.321705426357, 0.0], [0.317829457364, 0.317829457364, 0.0], [0.313953488372, 0.313953488372, 0.0], [0.31007751938, 0.31007751938, 0.0], [0.306201550388, 0.306201550388, 0.0], [0.302325581395, 0.302325581395, 0.0], [0.298449612403, 0.298449612403, 0.0], [0.294573643411, 0.294573643411, 0.0], [0.290697674419, 0.290697674419, 0.0], [0.286821705426, 0.286821705426, 0.0], [0.282945736434, 0.282945736434, 0.0], [0.279069767442, 0.279069767442, 0.0], [0.27519379845, 0.27519379845, 0.0], [0.271317829457, 0.271317829457, 0.0], [0.267441860465, 0.267441860465, 0.0], [0.263565891473, 0.263565891473, 0.0], [0.259689922481, 0.259689922481, 0.0], [0.255813953488, 0.255813953488, 0.0], [0.251937984496, 0.251937984496, 0.0], [0.248062015504, 0.248062015504, 0.0], [0.244186046512, 0.244186046512, 0.0], [0.240310077519, 0.240310077519, 0.0], [0.236434108527, 0.236434108527, 0.0], [0.232558139535, 0.232558139535, 0.0], [0.228682170543, 0.228682170543, 0.0], [0.22480620155, 0.22480620155, 0.0], [0.220930232558, 0.220930232558, 0.0], [0.217054263566, 0.217054263566, 0.0], [0.213178294574, 0.213178294574, 0.0], [0.209302325581, 0.209302325581, 0.0], [0.205426356589, 0.205426356589, 0.0], [0.201550387597, 0.201550387597, 0.0], [0.197674418605, 0.197674418605, 0.0], [0.193798449612, 0.193798449612, 0.0], [0.18992248062, 0.18992248062, 0.0], [0.186046511628, 0.186046511628, 0.0], [0.182170542636, 0.182170542636, 0.0], [0.178294573643, 0.178294573643, 0.0], [0.174418604651, 0.174418604651, 0.0], [0.170542635659, 0.170542635659, 0.0], [0.166666666667, 0.166666666667, 0.0], [0.162790697674, 0.162790697674, 0.0], [0.158914728682, 0.158914728682, 0.0], [0.15503875969, 0.15503875969, 0.0], [0.151162790698, 0.151162790698, 0.0], [0.147286821705, 0.147286821705, 0.0], [0.143410852713, 0.143410852713, 0.0], [0.139534883721, 0.139534883721, 0.0], [0.135658914729, 0.135658914729, 0.0], [0.131782945736, 0.131782945736, 0.0], [0.127906976744, 0.127906976744, 0.0], [0.124031007752, 0.124031007752, 0.0], [0.12015503876, 0.12015503876, 0.0], [0.116279069767, 0.116279069767, 0.0], [0.112403100775, 0.112403100775, 0.0], [0.108527131783, 0.108527131783, 0.0], [0.104651162791, 0.104651162791, 0.0], [0.100775193798, 0.100775193798, 0.0], [0.0968992248062, 0.0968992248062, 0.0], [0.093023255814, 0.093023255814, 0.0], [0.0891472868217, 0.0891472868217, 0.0], [0.0852713178295, 0.0852713178295, 0.0], [0.0813953488372, 0.0813953488372, 0.0], [0.077519379845, 0.077519379845, 0.0], [0.0736434108527, 0.0736434108527, 0.0], [0.0697674418605, 0.0697674418605, 0.0], [0.0658914728682, 0.0658914728682, 0.0], [0.062015503876, 0.062015503876, 0.0], [0.0581395348837, 0.0581395348837, 0.0], [0.0542635658915, 0.0542635658915, 0.0], [0.0503875968992, 0.0503875968992, 0.0], [0.046511627907, 0.046511627907, 0.0], [0.0426356589147, 0.0426356589147, 0.0], [0.0387596899225, 0.0387596899225, 0.0], [0.0348837209302, 0.0348837209302, 0.0], [0.031007751938, 0.031007751938, 0.0], [0.0271317829457, 0.0271317829457, 0.0], [0.0232558139535, 0.0232558139535, 0.0], [0.0193798449612, 0.0193798449612, 0.0], [0.015503875969, 0.015503875969, 0.0], [0.0116279069767, 0.0116279069767, 0.0], [0.0077519379845, 0.0077519379845, 0.0], [0.00387596899225, 0.00387596899225, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0045871559633], [0.0, 0.0, 0.00917431192661], [0.0, 0.0, 0.0137614678899], [0.0, 0.0, 0.0183486238532], [0.0, 0.0, 0.0229357798165], [0.0, 0.0, 0.0275229357798], [0.0, 0.0, 0.0321100917431], [0.0, 0.0, 0.0366972477064], [0.0, 0.0, 0.0412844036697], [0.0, 0.0, 0.045871559633], [0.0, 0.0, 0.0504587155963], [0.0, 0.0, 0.0550458715596], [0.0, 0.0, 0.0596330275229], [0.0, 0.0, 0.0642201834862], [0.0, 0.0, 0.0688073394495], [0.0, 0.0, 0.0733944954128], [0.0, 0.0, 0.0779816513761], [0.0, 0.0, 0.0825688073394], [0.0, 0.0, 0.0871559633028], [0.0, 0.0, 0.0917431192661], [0.0, 0.0, 0.0963302752294], [0.0, 0.0, 0.100917431193], [0.0, 0.0, 0.105504587156], [0.0, 0.0, 0.110091743119], [0.0, 0.0, 0.114678899083], [0.0, 0.0, 0.119266055046], [0.0, 0.0, 0.123853211009], [0.0, 0.0, 0.128440366972], [0.0, 0.0, 0.133027522936], [0.0, 0.0, 0.137614678899], [0.0, 0.0, 0.142201834862], [0.0, 0.0, 0.146788990826], [0.0, 0.0, 0.151376146789], [0.0, 0.0, 0.155963302752], [0.0, 0.0, 0.160550458716], [0.0, 0.0, 0.165137614679], [0.0, 0.0, 0.169724770642], [0.0, 0.0, 0.174311926606], [0.0, 0.0, 0.178899082569], [0.0, 0.0, 0.183486238532], [0.0, 0.0, 0.188073394495], [0.0, 0.0, 0.192660550459], [0.0, 0.0, 0.197247706422], [0.0, 0.0, 0.201834862385], [0.0, 0.0, 0.206422018349], [0.0, 0.0, 0.211009174312], [0.0, 0.0, 0.215596330275], [0.0, 0.0, 0.220183486239], [0.0, 0.0, 0.224770642202], [0.0, 0.0, 0.229357798165], [0.0, 0.0, 0.233944954128], [0.0, 0.0, 0.238532110092], [0.0, 0.0, 0.243119266055], [0.0, 0.0, 0.247706422018], [0.0, 0.0, 0.252293577982], [0.0, 0.0, 0.256880733945], [0.0, 0.0, 0.261467889908], [0.0, 0.0, 0.266055045872], [0.0, 0.0, 0.270642201835], [0.0, 0.0, 0.275229357798], [0.0, 0.0, 0.279816513761], [0.0, 0.0, 0.284403669725], [0.0, 0.0, 0.288990825688], [0.0, 0.0, 0.293577981651], [0.0, 0.0, 0.298165137615], [0.0, 0.0, 0.302752293578], [0.0, 0.0, 0.307339449541], [0.0, 0.0, 0.311926605505], [0.0, 0.0, 0.316513761468], [0.0, 0.0, 0.321100917431], [0.0, 0.0, 0.325688073394], [0.0, 0.0, 0.330275229358], [0.0, 0.0, 0.334862385321], [0.0, 0.0, 0.339449541284], [0.0, 0.0, 0.344036697248], [0.0, 0.0, 0.348623853211], [0.0, 0.0, 0.353211009174], [0.0, 0.0, 0.357798165138], [0.0, 0.0, 0.362385321101], [0.0, 0.0, 0.366972477064], [0.0, 0.0, 0.371559633028], [0.0, 0.0, 0.376146788991], [0.0, 0.0, 0.380733944954], [0.0, 0.0, 0.385321100917], [0.0, 0.0, 0.389908256881], [0.0, 0.0, 0.394495412844], [0.0, 0.0, 0.399082568807], [0.0, 0.0, 0.403669724771], [0.0, 0.0, 0.408256880734], [0.0, 0.0, 0.412844036697], [0.0, 0.0, 0.417431192661], [0.0, 0.0, 0.422018348624], [0.0, 0.0, 0.426605504587], [0.0, 0.0, 0.43119266055], [0.0, 0.0, 0.435779816514], [0.0, 0.0, 0.440366972477], [0.0, 0.0, 0.44495412844], [0.0, 0.0, 0.449541284404], [0.0, 0.0, 0.454128440367], [0.0, 0.0, 0.45871559633], [0.0, 0.0, 0.463302752294], [0.0, 0.0, 0.467889908257], [0.0, 0.0, 0.47247706422], [0.0, 0.0, 0.477064220183], [0.0, 0.0, 0.481651376147], [0.0, 0.0, 0.48623853211], [0.0, 0.0, 0.490825688073], [0.0, 0.0, 0.495412844037], [0.0, 0.0, 0.5], [0.0, 0.0, 0.5], [0.00675675675676, 0.0, 0.5], [0.0135135135135, 0.0, 0.5], [0.0202702702703, -1.73472347598e-18, 0.5], [0.027027027027, 0.0, 0.5], [0.0337837837838, 0.0, 0.5], [0.0405405405405, -3.46944695195e-18, 0.5], [0.0472972972973, -3.46944695195e-18, 0.5], [0.0540540540541, 0.0, 0.5], [0.0608108108108, 0.0, 0.5], [0.0675675675676, 0.0, 0.5], [0.0743243243243, 0.0, 0.5], [0.0810810810811, -6.93889390391e-18, 0.5], [0.0878378378378, -6.93889390391e-18, 0.5], [0.0945945945946, -6.93889390391e-18, 0.5], [0.101351351351, 0.0, 0.5], [0.108108108108, 0.0, 0.5], [0.114864864865, -6.93889390391e-18, 0.5], [0.121621621622, 0.0, 0.5], [0.128378378378, 0.0, 0.5], [0.135135135135, 0.0, 0.5], [0.141891891892, 0.0, 0.5], [0.148648648649, 0.0, 0.5], [0.155405405405, 0.0, 0.5], [0.162162162162, -1.38777878078e-17, 0.5], [0.168918918919, 1.38777878078e-17, 0.5], [0.175675675676, -1.38777878078e-17, 0.5], [0.182432432432, 0.0, 0.5], [0.189189189189, -1.38777878078e-17, 0.5], [0.195945945946, 1.38777878078e-17, 0.5], [0.202702702703, 0.0, 0.5], [0.209459459459, 0.0, 0.5], [0.216216216216, 0.0, 0.5], [0.222972972973, -1.38777878078e-17, 0.5], [0.22972972973, -1.38777878078e-17, 0.5], [0.236486486486, 0.0, 0.5], [0.243243243243, 0.0, 0.5], [0.25, 0.0, 0.5], [0.256756756757, 0.0, 0.5], [0.263513513514, 0.0, 0.5], [0.27027027027, 0.0, 0.5], [0.277027027027, 0.0, 0.5], [0.283783783784, 0.0, 0.5], [0.290540540541, 0.0, 0.5], [0.297297297297, 0.0, 0.5], [0.304054054054, 0.0, 0.5], [0.310810810811, 0.0, 0.5], [0.317567567568, -2.77555756156e-17, 0.5], [0.324324324324, -2.77555756156e-17, 0.5], [0.331081081081, 0.0, 0.5], [0.337837837838, 2.77555756156e-17, 0.5], [0.344594594595, 0.0, 0.5], [0.351351351351, -2.77555756156e-17, 0.5], [0.358108108108, 2.77555756156e-17, 0.5], [0.364864864865, 0.0, 0.5], [0.371621621622, 0.0, 0.5], [0.378378378378, -2.77555756156e-17, 0.5], [0.385135135135, -2.77555756156e-17, 0.5], [0.391891891892, 2.77555756156e-17, 0.5], [0.398648648649, -2.77555756156e-17, 0.5], [0.405405405405, 0.0, 0.5], [0.412162162162, 0.0, 0.5], [0.418918918919, 0.0, 0.5], [0.425675675676, 0.0, 0.5], [0.432432432432, 0.0, 0.5], [0.439189189189, 2.77555756156e-17, 0.5], [0.445945945946, -2.77555756156e-17, 0.5], [0.452702702703, 0.0, 0.5], [0.459459459459, -2.77555756156e-17, 0.5], [0.466216216216, 2.77555756156e-17, 0.5], [0.472972972973, 0.0, 0.5], [0.47972972973, 0.0, 0.5], [0.486486486486, 0.0, 0.5], [0.493243243243, 2.77555756156e-17, 0.5], [0.5, 0.0, 0.5], [0.5, 0.0, 0.5], [0.496124031008, 0.0077519379845, 0.5], [0.492248062016, 0.015503875969, 0.5], [0.488372093023, 0.0232558139535, 0.5], [0.484496124031, 0.031007751938, 0.5], [0.480620155039, 0.0387596899225, 0.5], [0.476744186047, 0.046511627907, 0.5], [0.472868217054, 0.0542635658915, 0.5], [0.468992248062, 0.062015503876, 0.5], [0.46511627907, 0.0697674418605, 0.5], [0.461240310078, 0.077519379845, 0.5], [0.457364341085, 0.0852713178295, 0.5], [0.453488372093, 0.093023255814, 0.5], [0.449612403101, 0.100775193798, 0.5], [0.445736434109, 0.108527131783, 0.5], [0.441860465116, 0.116279069767, 0.5], [0.437984496124, 0.124031007752, 0.5], [0.434108527132, 0.131782945736, 0.5], [0.43023255814, 0.139534883721, 0.5], [0.426356589147, 0.147286821705, 0.5], [0.422480620155, 0.15503875969, 0.5], [0.418604651163, 0.162790697674, 0.5], [0.414728682171, 0.170542635659, 0.5], [0.410852713178, 0.178294573643, 0.5], [0.406976744186, 0.186046511628, 0.5], [0.403100775194, 0.193798449612, 0.5], [0.399224806202, 0.201550387597, 0.5], [0.395348837209, 0.209302325581, 0.5], [0.391472868217, 0.217054263566, 0.5], [0.387596899225, 0.22480620155, 0.5], [0.383720930233, 0.232558139535, 0.5], [0.37984496124, 0.240310077519, 0.5], [0.375968992248, 0.248062015504, 0.5], [0.372093023256, 0.255813953488, 0.5], [0.368217054264, 0.263565891473, 0.5], [0.364341085271, 0.271317829457, 0.5], [0.360465116279, 0.279069767442, 0.5], [0.356589147287, 0.286821705426, 0.5], [0.352713178295, 0.294573643411, 0.5], [0.348837209302, 0.302325581395, 0.5], [0.34496124031, 0.31007751938, 0.5], [0.341085271318, 0.317829457364, 0.5], [0.337209302326, 0.325581395349, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.333333333333, 0.333333333333, 0.5], [0.329457364341, 0.329457364341, 0.5], [0.325581395349, 0.325581395349, 0.5], [0.321705426357, 0.321705426357, 0.5], [0.317829457364, 0.317829457364, 0.5], [0.313953488372, 0.313953488372, 0.5], [0.31007751938, 0.31007751938, 0.5], [0.306201550388, 0.306201550388, 0.5], [0.302325581395, 0.302325581395, 0.5], [0.298449612403, 0.298449612403, 0.5], [0.294573643411, 0.294573643411, 0.5], [0.290697674419, 0.290697674419, 0.5], [0.286821705426, 0.286821705426, 0.5], [0.282945736434, 0.282945736434, 0.5], [0.279069767442, 0.279069767442, 0.5], [0.27519379845, 0.27519379845, 0.5], [0.271317829457, 0.271317829457, 0.5], [0.267441860465, 0.267441860465, 0.5], [0.263565891473, 0.263565891473, 0.5], [0.259689922481, 0.259689922481, 0.5], [0.255813953488, 0.255813953488, 0.5], [0.251937984496, 0.251937984496, 0.5], [0.248062015504, 0.248062015504, 0.5], [0.244186046512, 0.244186046512, 0.5], [0.240310077519, 0.240310077519, 0.5], [0.236434108527, 0.236434108527, 0.5], [0.232558139535, 0.232558139535, 0.5], [0.228682170543, 0.228682170543, 0.5], [0.22480620155, 0.22480620155, 0.5], [0.220930232558, 0.220930232558, 0.5], [0.217054263566, 0.217054263566, 0.5], [0.213178294574, 0.213178294574, 0.5], [0.209302325581, 0.209302325581, 0.5], [0.205426356589, 0.205426356589, 0.5], [0.201550387597, 0.201550387597, 0.5], [0.197674418605, 0.197674418605, 0.5], [0.193798449612, 0.193798449612, 0.5], [0.18992248062, 0.18992248062, 0.5], [0.186046511628, 0.186046511628, 0.5], [0.182170542636, 0.182170542636, 0.5], [0.178294573643, 0.178294573643, 0.5], [0.174418604651, 0.174418604651, 0.5], [0.170542635659, 0.170542635659, 0.5], [0.166666666667, 0.166666666667, 0.5], [0.162790697674, 0.162790697674, 0.5], [0.158914728682, 0.158914728682, 0.5], [0.15503875969, 0.15503875969, 0.5], [0.151162790698, 0.151162790698, 0.5], [0.147286821705, 0.147286821705, 0.5], [0.143410852713, 0.143410852713, 0.5], [0.139534883721, 0.139534883721, 0.5], [0.135658914729, 0.135658914729, 0.5], [0.131782945736, 0.131782945736, 0.5], [0.127906976744, 0.127906976744, 0.5], [0.124031007752, 0.124031007752, 0.5], [0.12015503876, 0.12015503876, 0.5], [0.116279069767, 0.116279069767, 0.5], [0.112403100775, 0.112403100775, 0.5], [0.108527131783, 0.108527131783, 0.5], [0.104651162791, 0.104651162791, 0.5], [0.100775193798, 0.100775193798, 0.5], [0.0968992248062, 0.0968992248062, 0.5], [0.093023255814, 0.093023255814, 0.5], [0.0891472868217, 0.0891472868217, 0.5], [0.0852713178295, 0.0852713178295, 0.5], [0.0813953488372, 0.0813953488372, 0.5], [0.077519379845, 0.077519379845, 0.5], [0.0736434108527, 0.0736434108527, 0.5], [0.0697674418605, 0.0697674418605, 0.5], [0.0658914728682, 0.0658914728682, 0.5], [0.062015503876, 0.062015503876, 0.5], [0.0581395348837, 0.0581395348837, 0.5], [0.0542635658915, 0.0542635658915, 0.5], [0.0503875968992, 0.0503875968992, 0.5], [0.046511627907, 0.046511627907, 0.5], [0.0426356589147, 0.0426356589147, 0.5], [0.0387596899225, 0.0387596899225, 0.5], [0.0348837209302, 0.0348837209302, 0.5], [0.031007751938, 0.031007751938, 0.5], [0.0271317829457, 0.0271317829457, 0.5], [0.0232558139535, 0.0232558139535, 0.5], [0.0193798449612, 0.0193798449612, 0.5], [0.015503875969, 0.015503875969, 0.5], [0.0116279069767, 0.0116279069767, 0.5], [0.0077519379845, 0.0077519379845, 0.5], [0.00387596899225, 0.00387596899225, 0.5], [0.0, 0.0, 0.5], [0.5, 0.0, 0.5], [0.5, 0.0, 0.495412844037], [0.5, 0.0, 0.490825688073], [0.5, 0.0, 0.48623853211], [0.5, 0.0, 0.481651376147], [0.5, 0.0, 0.477064220183], [0.5, 0.0, 0.47247706422], [0.5, 0.0, 0.467889908257], [0.5, 0.0, 0.463302752294], [0.5, 0.0, 0.45871559633], [0.5, 0.0, 0.454128440367], [0.5, 0.0, 0.449541284404], [0.5, 0.0, 0.44495412844], [0.5, 0.0, 0.440366972477], [0.5, 0.0, 0.435779816514], [0.5, 0.0, 0.43119266055], [0.5, 0.0, 0.426605504587], [0.5, 0.0, 0.422018348624], [0.5, 0.0, 0.417431192661], [0.5, 0.0, 0.412844036697], [0.5, 0.0, 0.408256880734], [0.5, 0.0, 0.403669724771], [0.5, 0.0, 0.399082568807], [0.5, 0.0, 0.394495412844], [0.5, 0.0, 0.389908256881], [0.5, 0.0, 0.385321100917], [0.5, 0.0, 0.380733944954], [0.5, 0.0, 0.376146788991], [0.5, 0.0, 0.371559633028], [0.5, 0.0, 0.366972477064], [0.5, 0.0, 0.362385321101], [0.5, 0.0, 0.357798165138], [0.5, 0.0, 0.353211009174], [0.5, 0.0, 0.348623853211], [0.5, 0.0, 0.344036697248], [0.5, 0.0, 0.339449541284], [0.5, 0.0, 0.334862385321], [0.5, 0.0, 0.330275229358], [0.5, 0.0, 0.325688073394], [0.5, 0.0, 0.321100917431], [0.5, 0.0, 0.316513761468], [0.5, 0.0, 0.311926605505], [0.5, 0.0, 0.307339449541], [0.5, 0.0, 0.302752293578], [0.5, 0.0, 0.298165137615], [0.5, 0.0, 0.293577981651], [0.5, 0.0, 0.288990825688], [0.5, 0.0, 0.284403669725], [0.5, 0.0, 0.279816513761], [0.5, 0.0, 0.275229357798], [0.5, 0.0, 0.270642201835], [0.5, 0.0, 0.266055045872], [0.5, 0.0, 0.261467889908], [0.5, 0.0, 0.256880733945], [0.5, 0.0, 0.252293577982], [0.5, 0.0, 0.247706422018], [0.5, 0.0, 0.243119266055], [0.5, 0.0, 0.238532110092], [0.5, 0.0, 0.233944954128], [0.5, 0.0, 0.229357798165], [0.5, 0.0, 0.224770642202], [0.5, 0.0, 0.220183486239], [0.5, 0.0, 0.215596330275], [0.5, 0.0, 0.211009174312], [0.5, 0.0, 0.206422018349], [0.5, 0.0, 0.201834862385], [0.5, 0.0, 0.197247706422], [0.5, 0.0, 0.192660550459], [0.5, 0.0, 0.188073394495], [0.5, 0.0, 0.183486238532], [0.5, 0.0, 0.178899082569], [0.5, 0.0, 0.174311926606], [0.5, 0.0, 0.169724770642], [0.5, 0.0, 0.165137614679], [0.5, 0.0, 0.160550458716], [0.5, 0.0, 0.155963302752], [0.5, 0.0, 0.151376146789], [0.5, 0.0, 0.146788990826], [0.5, 0.0, 0.142201834862], [0.5, 0.0, 0.137614678899], [0.5, 0.0, 0.133027522936], [0.5, 0.0, 0.128440366972], [0.5, 0.0, 0.123853211009], [0.5, 0.0, 0.119266055046], [0.5, 0.0, 0.114678899083], [0.5, 0.0, 0.110091743119], [0.5, 0.0, 0.105504587156], [0.5, 0.0, 0.100917431193], [0.5, 0.0, 0.0963302752294], [0.5, 0.0, 0.0917431192661], [0.5, 0.0, 0.0871559633028], [0.5, 0.0, 0.0825688073394], [0.5, 0.0, 0.0779816513761], [0.5, 0.0, 0.0733944954128], [0.5, 0.0, 0.0688073394495], [0.5, 0.0, 0.0642201834862], [0.5, 0.0, 0.0596330275229], [0.5, 0.0, 0.0550458715596], [0.5, 0.0, 0.0504587155963], [0.5, 0.0, 0.045871559633], [0.5, 0.0, 0.0412844036697], [0.5, 0.0, 0.0366972477064], [0.5, 0.0, 0.0321100917431], [0.5, 0.0, 0.0275229357798], [0.5, 0.0, 0.0229357798165], [0.5, 0.0, 0.0183486238532], [0.5, 0.0, 0.0137614678899], [0.5, 0.0, 0.00917431192661], [0.5, 0.0, 0.0045871559633], [0.5, 0.0, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.333333333333, 0.333333333333, 0.0045871559633], [0.333333333333, 0.333333333333, 0.00917431192661], [0.333333333333, 0.333333333333, 0.0137614678899], [0.333333333333, 0.333333333333, 0.0183486238532], [0.333333333333, 0.333333333333, 0.0229357798165], [0.333333333333, 0.333333333333, 0.0275229357798], [0.333333333333, 0.333333333333, 0.0321100917431], [0.333333333333, 0.333333333333, 0.0366972477064], [0.333333333333, 0.333333333333, 0.0412844036697], [0.333333333333, 0.333333333333, 0.045871559633], [0.333333333333, 0.333333333333, 0.0504587155963], [0.333333333333, 0.333333333333, 0.0550458715596], [0.333333333333, 0.333333333333, 0.0596330275229], [0.333333333333, 0.333333333333, 0.0642201834862], [0.333333333333, 0.333333333333, 0.0688073394495], [0.333333333333, 0.333333333333, 0.0733944954128], [0.333333333333, 0.333333333333, 0.0779816513761], [0.333333333333, 0.333333333333, 0.0825688073394], [0.333333333333, 0.333333333333, 0.0871559633028], [0.333333333333, 0.333333333333, 0.0917431192661], [0.333333333333, 0.333333333333, 0.0963302752294], [0.333333333333, 0.333333333333, 0.100917431193], [0.333333333333, 0.333333333333, 0.105504587156], [0.333333333333, 0.333333333333, 0.110091743119], [0.333333333333, 0.333333333333, 0.114678899083], [0.333333333333, 0.333333333333, 0.119266055046], [0.333333333333, 0.333333333333, 0.123853211009], [0.333333333333, 0.333333333333, 0.128440366972], [0.333333333333, 0.333333333333, 0.133027522936], [0.333333333333, 0.333333333333, 0.137614678899], [0.333333333333, 0.333333333333, 0.142201834862], [0.333333333333, 0.333333333333, 0.146788990826], [0.333333333333, 0.333333333333, 0.151376146789], [0.333333333333, 0.333333333333, 0.155963302752], [0.333333333333, 0.333333333333, 0.160550458716], [0.333333333333, 0.333333333333, 0.165137614679], [0.333333333333, 0.333333333333, 0.169724770642], [0.333333333333, 0.333333333333, 0.174311926606], [0.333333333333, 0.333333333333, 0.178899082569], [0.333333333333, 0.333333333333, 0.183486238532], [0.333333333333, 0.333333333333, 0.188073394495], [0.333333333333, 0.333333333333, 0.192660550459], [0.333333333333, 0.333333333333, 0.197247706422], [0.333333333333, 0.333333333333, 0.201834862385], [0.333333333333, 0.333333333333, 0.206422018349], [0.333333333333, 0.333333333333, 0.211009174312], [0.333333333333, 0.333333333333, 0.215596330275], [0.333333333333, 0.333333333333, 0.220183486239], [0.333333333333, 0.333333333333, 0.224770642202], [0.333333333333, 0.333333333333, 0.229357798165], [0.333333333333, 0.333333333333, 0.233944954128], [0.333333333333, 0.333333333333, 0.238532110092], [0.333333333333, 0.333333333333, 0.243119266055], [0.333333333333, 0.333333333333, 0.247706422018], [0.333333333333, 0.333333333333, 0.252293577982], [0.333333333333, 0.333333333333, 0.256880733945], [0.333333333333, 0.333333333333, 0.261467889908], [0.333333333333, 0.333333333333, 0.266055045872], [0.333333333333, 0.333333333333, 0.270642201835], [0.333333333333, 0.333333333333, 0.275229357798], [0.333333333333, 0.333333333333, 0.279816513761], [0.333333333333, 0.333333333333, 0.284403669725], [0.333333333333, 0.333333333333, 0.288990825688], [0.333333333333, 0.333333333333, 0.293577981651], [0.333333333333, 0.333333333333, 0.298165137615], [0.333333333333, 0.333333333333, 0.302752293578], [0.333333333333, 0.333333333333, 0.307339449541], [0.333333333333, 0.333333333333, 0.311926605505], [0.333333333333, 0.333333333333, 0.316513761468], [0.333333333333, 0.333333333333, 0.321100917431], [0.333333333333, 0.333333333333, 0.325688073394], [0.333333333333, 0.333333333333, 0.330275229358], [0.333333333333, 0.333333333333, 0.334862385321], [0.333333333333, 0.333333333333, 0.339449541284], [0.333333333333, 0.333333333333, 0.344036697248], [0.333333333333, 0.333333333333, 0.348623853211], [0.333333333333, 0.333333333333, 0.353211009174], [0.333333333333, 0.333333333333, 0.357798165138], [0.333333333333, 0.333333333333, 0.362385321101], [0.333333333333, 0.333333333333, 0.366972477064], [0.333333333333, 0.333333333333, 0.371559633028], [0.333333333333, 0.333333333333, 0.376146788991], [0.333333333333, 0.333333333333, 0.380733944954], [0.333333333333, 0.333333333333, 0.385321100917], [0.333333333333, 0.333333333333, 0.389908256881], [0.333333333333, 0.333333333333, 0.394495412844], [0.333333333333, 0.333333333333, 0.399082568807], [0.333333333333, 0.333333333333, 0.403669724771], [0.333333333333, 0.333333333333, 0.408256880734], [0.333333333333, 0.333333333333, 0.412844036697], [0.333333333333, 0.333333333333, 0.417431192661], [0.333333333333, 0.333333333333, 0.422018348624], [0.333333333333, 0.333333333333, 0.426605504587], [0.333333333333, 0.333333333333, 0.43119266055], [0.333333333333, 0.333333333333, 0.435779816514], [0.333333333333, 0.333333333333, 0.440366972477], [0.333333333333, 0.333333333333, 0.44495412844], [0.333333333333, 0.333333333333, 0.449541284404], [0.333333333333, 0.333333333333, 0.454128440367], [0.333333333333, 0.333333333333, 0.45871559633], [0.333333333333, 0.333333333333, 0.463302752294], [0.333333333333, 0.333333333333, 0.467889908257], [0.333333333333, 0.333333333333, 0.47247706422], [0.333333333333, 0.333333333333, 0.477064220183], [0.333333333333, 0.333333333333, 0.481651376147], [0.333333333333, 0.333333333333, 0.48623853211], [0.333333333333, 0.333333333333, 0.490825688073], [0.333333333333, 0.333333333333, 0.495412844037], [0.333333333333, 0.333333333333, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "M", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "K", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "A", "A", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "L", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "A", "L", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "M", "K", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.4163482473919997, -1.444604], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 0.00015, "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": false, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "NBANDS": 10, "NCORE": 4, "NEDOS": 601, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 1040, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.025641025641, 0.0, 0.0], [0.0512820512821, 0.0, 0.0], [0.0769230769231, 0.0, 0.0], [0.102564102564, 0.0, 0.0], [0.128205128205, 0.0, 0.0], [0.153846153846, 0.0, 0.0], [0.179487179487, 0.0, 0.0], [0.205128205128, 0.0, 0.0], [0.230769230769, 0.0, 0.0], [0.25641025641, 0.0, 0.0], [0.282051282051, 0.0, 0.0], [0.307692307692, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.358974358974, 0.0, 0.0], [0.384615384615, 0.0, 0.0], [0.410256410256, 0.0, 0.0], [0.435897435897, 0.0, 0.0], [0.461538461538, 0.0, 0.0], [0.487179487179, 0.0, 0.0], [0.0, 0.0454545454545, 0.0], [0.025641025641, 0.0454545454545, 0.0], [0.0512820512821, 0.0454545454545, 0.0], [0.0769230769231, 0.0454545454545, 0.0], [0.102564102564, 0.0454545454545, 0.0], [0.128205128205, 0.0454545454545, 0.0], [0.153846153846, 0.0454545454545, 0.0], [0.179487179487, 0.0454545454545, 0.0], [0.205128205128, 0.0454545454545, 0.0], [0.230769230769, 0.0454545454545, 0.0], [0.25641025641, 0.0454545454545, 0.0], [0.282051282051, 0.0454545454545, 0.0], [0.307692307692, 0.0454545454545, 0.0], [0.333333333333, 0.0454545454545, 0.0], [0.358974358974, 0.0454545454545, 0.0], [0.384615384615, 0.0454545454545, 0.0], [0.410256410256, 0.0454545454545, 0.0], [0.435897435897, 0.0454545454545, 0.0], [0.461538461538, 0.0454545454545, 0.0], [0.487179487179, 0.0454545454545, 0.0], [0.0, 0.0909090909091, 0.0], [0.025641025641, 0.0909090909091, 0.0], [0.0512820512821, 0.0909090909091, 0.0], [0.0769230769231, 0.0909090909091, 0.0], [0.102564102564, 0.0909090909091, 0.0], [0.128205128205, 0.0909090909091, 0.0], [0.153846153846, 0.0909090909091, 0.0], [0.179487179487, 0.0909090909091, 0.0], [0.205128205128, 0.0909090909091, 0.0], [0.230769230769, 0.0909090909091, 0.0], [0.25641025641, 0.0909090909091, 0.0], [0.282051282051, 0.0909090909091, 0.0], [0.307692307692, 0.0909090909091, 0.0], [0.333333333333, 0.0909090909091, 0.0], [0.358974358974, 0.0909090909091, 0.0], [0.384615384615, 0.0909090909091, 0.0], [0.410256410256, 0.0909090909091, 0.0], [0.435897435897, 0.0909090909091, 0.0], [0.461538461538, 0.0909090909091, 0.0], [0.487179487179, 0.0909090909091, 0.0], [0.0, 0.136363636364, 0.0], [0.025641025641, 0.136363636364, 0.0], [0.0512820512821, 0.136363636364, 0.0], [0.0769230769231, 0.136363636364, 0.0], [0.102564102564, 0.136363636364, 0.0], [0.128205128205, 0.136363636364, 0.0], [0.153846153846, 0.136363636364, 0.0], [0.179487179487, 0.136363636364, 0.0], [0.205128205128, 0.136363636364, 0.0], [0.230769230769, 0.136363636364, 0.0], [0.25641025641, 0.136363636364, 0.0], [0.282051282051, 0.136363636364, 0.0], [0.307692307692, 0.136363636364, 0.0], [0.333333333333, 0.136363636364, 0.0], [0.358974358974, 0.136363636364, 0.0], [0.384615384615, 0.136363636364, 0.0], [0.410256410256, 0.136363636364, 0.0], [0.435897435897, 0.136363636364, 0.0], [0.461538461538, 0.136363636364, 0.0], [0.487179487179, 0.136363636364, 0.0], [0.0, 0.181818181818, 0.0], [0.025641025641, 0.181818181818, 0.0], [0.0512820512821, 0.181818181818, 0.0], [0.0769230769231, 0.181818181818, 0.0], [0.102564102564, 0.181818181818, 0.0], [0.128205128205, 0.181818181818, 0.0], [0.153846153846, 0.181818181818, 0.0], [0.179487179487, 0.181818181818, 0.0], [0.205128205128, 0.181818181818, 0.0], [0.230769230769, 0.181818181818, 0.0], [0.25641025641, 0.181818181818, 0.0], [0.282051282051, 0.181818181818, 0.0], [0.307692307692, 0.181818181818, 0.0], [0.333333333333, 0.181818181818, 0.0], [0.358974358974, 0.181818181818, 0.0], [0.384615384615, 0.181818181818, 0.0], [0.410256410256, 0.181818181818, 0.0], [0.435897435897, 0.181818181818, 0.0], [0.461538461538, 0.181818181818, 0.0], [0.487179487179, 0.181818181818, 0.0], [0.0, 0.227272727273, 0.0], [0.025641025641, 0.227272727273, 0.0], [0.0512820512821, 0.227272727273, 0.0], [0.0769230769231, 0.227272727273, 0.0], [0.102564102564, 0.227272727273, 0.0], [0.128205128205, 0.227272727273, 0.0], [0.153846153846, 0.227272727273, 0.0], [0.179487179487, 0.227272727273, 0.0], [0.205128205128, 0.227272727273, 0.0], [0.230769230769, 0.227272727273, 0.0], [0.25641025641, 0.227272727273, 0.0], [0.282051282051, 0.227272727273, 0.0], [0.307692307692, 0.227272727273, 0.0], [0.333333333333, 0.227272727273, 0.0], [0.358974358974, 0.227272727273, 0.0], [0.384615384615, 0.227272727273, 0.0], [0.410256410256, 0.227272727273, 0.0], [0.435897435897, 0.227272727273, 0.0], [0.461538461538, 0.227272727273, 0.0], [0.487179487179, 0.227272727273, 0.0], [0.0, 0.272727272727, 0.0], [0.025641025641, 0.272727272727, 0.0], [0.0512820512821, 0.272727272727, 0.0], [0.0769230769231, 0.272727272727, 0.0], [0.102564102564, 0.272727272727, 0.0], [0.128205128205, 0.272727272727, 0.0], [0.153846153846, 0.272727272727, 0.0], [0.179487179487, 0.272727272727, 0.0], [0.205128205128, 0.272727272727, 0.0], [0.230769230769, 0.272727272727, 0.0], [0.25641025641, 0.272727272727, 0.0], [0.282051282051, 0.272727272727, 0.0], [0.307692307692, 0.272727272727, 0.0], [0.333333333333, 0.272727272727, 0.0], [0.358974358974, 0.272727272727, 0.0], [0.384615384615, 0.272727272727, 0.0], [0.410256410256, 0.272727272727, 0.0], [0.435897435897, 0.272727272727, 0.0], [0.461538461538, 0.272727272727, 0.0], [0.487179487179, 0.272727272727, 0.0], [0.0, 0.318181818182, 0.0], [0.025641025641, 0.318181818182, 0.0], [0.0512820512821, 0.318181818182, 0.0], [0.0769230769231, 0.318181818182, 0.0], [0.102564102564, 0.318181818182, 0.0], [0.128205128205, 0.318181818182, 0.0], [0.153846153846, 0.318181818182, 0.0], [0.179487179487, 0.318181818182, 0.0], [0.205128205128, 0.318181818182, 0.0], [0.230769230769, 0.318181818182, 0.0], [0.25641025641, 0.318181818182, 0.0], [0.282051282051, 0.318181818182, 0.0], [0.307692307692, 0.318181818182, 0.0], [0.333333333333, 0.318181818182, 0.0], [0.358974358974, 0.318181818182, 0.0], [0.384615384615, 0.318181818182, 0.0], [0.410256410256, 0.318181818182, 0.0], [0.435897435897, 0.318181818182, 0.0], [0.461538461538, 0.318181818182, 0.0], [0.487179487179, 0.318181818182, 0.0], [0.0, 0.363636363636, 0.0], [0.025641025641, 0.363636363636, 0.0], [0.0512820512821, 0.363636363636, 0.0], [0.0769230769231, 0.363636363636, 0.0], [0.102564102564, 0.363636363636, 0.0], [0.128205128205, 0.363636363636, 0.0], [0.153846153846, 0.363636363636, 0.0], [0.179487179487, 0.363636363636, 0.0], [0.205128205128, 0.363636363636, 0.0], [0.230769230769, 0.363636363636, 0.0], [0.25641025641, 0.363636363636, 0.0], [0.282051282051, 0.363636363636, 0.0], [0.307692307692, 0.363636363636, 0.0], [0.333333333333, 0.363636363636, 0.0], [0.358974358974, 0.363636363636, 0.0], [0.384615384615, 0.363636363636, 0.0], [0.410256410256, 0.363636363636, 0.0], [0.435897435897, 0.363636363636, 0.0], [0.461538461538, 0.363636363636, 0.0], [0.487179487179, 0.363636363636, 0.0], [0.0, 0.409090909091, 0.0], [0.025641025641, 0.409090909091, 0.0], [0.0512820512821, 0.409090909091, 0.0], [0.0769230769231, 0.409090909091, 0.0], [0.102564102564, 0.409090909091, 0.0], [0.128205128205, 0.409090909091, 0.0], [0.153846153846, 0.409090909091, 0.0], [0.179487179487, 0.409090909091, 0.0], [0.205128205128, 0.409090909091, 0.0], [0.230769230769, 0.409090909091, 0.0], [0.25641025641, 0.409090909091, 0.0], [0.282051282051, 0.409090909091, 0.0], [0.307692307692, 0.409090909091, 0.0], [0.333333333333, 0.409090909091, 0.0], [0.358974358974, 0.409090909091, 0.0], [0.384615384615, 0.409090909091, 0.0], [0.410256410256, 0.409090909091, 0.0], [0.435897435897, 0.409090909091, 0.0], [0.461538461538, 0.409090909091, 0.0], [0.487179487179, 0.409090909091, 0.0], [0.0, 0.454545454545, 0.0], [0.025641025641, 0.454545454545, 0.0], [0.0512820512821, 0.454545454545, 0.0], [0.0769230769231, 0.454545454545, 0.0], [0.102564102564, 0.454545454545, 0.0], [0.128205128205, 0.454545454545, 0.0], [0.153846153846, 0.454545454545, 0.0], [0.179487179487, 0.454545454545, 0.0], [0.205128205128, 0.454545454545, 0.0], [0.230769230769, 0.454545454545, 0.0], [0.25641025641, 0.454545454545, 0.0], [0.282051282051, 0.454545454545, 0.0], [0.307692307692, 0.454545454545, 0.0], [0.333333333333, 0.454545454545, 0.0], [0.358974358974, 0.454545454545, 0.0], [0.384615384615, 0.454545454545, 0.0], [0.410256410256, 0.454545454545, 0.0], [0.435897435897, 0.454545454545, 0.0], [0.461538461538, 0.454545454545, 0.0], [0.487179487179, 0.454545454545, 0.0], [0.0, 0.5, 0.0], [0.025641025641, 0.5, 0.0], [0.0512820512821, 0.5, 0.0], [0.0769230769231, 0.5, 0.0], [0.102564102564, 0.5, 0.0], [0.128205128205, 0.5, 0.0], [0.153846153846, 0.5, 0.0], [0.179487179487, 0.5, 0.0], [0.205128205128, 0.5, 0.0], [0.230769230769, 0.5, 0.0], [0.25641025641, 0.5, 0.0], [0.282051282051, 0.5, 0.0], [0.307692307692, 0.5, 0.0], [0.333333333333, 0.5, 0.0], [0.358974358974, 0.5, 0.0], [0.384615384615, 0.5, 0.0], [0.410256410256, 0.5, 0.0], [0.435897435897, 0.5, 0.0], [0.461538461538, 0.5, 0.0], [0.487179487179, 0.5, 0.0], [0.0, 0.0454545454545, 0.0454545454545], [0.025641025641, 0.0454545454545, 0.0454545454545], [0.0512820512821, 0.0454545454545, 0.0454545454545], [0.0769230769231, 0.0454545454545, 0.0454545454545], [0.102564102564, 0.0454545454545, 0.0454545454545], [0.128205128205, 0.0454545454545, 0.0454545454545], [0.153846153846, 0.0454545454545, 0.0454545454545], [0.179487179487, 0.0454545454545, 0.0454545454545], [0.205128205128, 0.0454545454545, 0.0454545454545], [0.230769230769, 0.0454545454545, 0.0454545454545], [0.25641025641, 0.0454545454545, 0.0454545454545], [0.282051282051, 0.0454545454545, 0.0454545454545], [0.307692307692, 0.0454545454545, 0.0454545454545], [0.333333333333, 0.0454545454545, 0.0454545454545], [0.358974358974, 0.0454545454545, 0.0454545454545], [0.384615384615, 0.0454545454545, 0.0454545454545], [0.410256410256, 0.0454545454545, 0.0454545454545], [0.435897435897, 0.0454545454545, 0.0454545454545], [0.461538461538, 0.0454545454545, 0.0454545454545], [0.487179487179, 0.0454545454545, 0.0454545454545], [0.0, 0.0909090909091, 0.0454545454545], [0.025641025641, 0.0909090909091, 0.0454545454545], [0.0512820512821, 0.0909090909091, 0.0454545454545], [0.0769230769231, 0.0909090909091, 0.0454545454545], [0.102564102564, 0.0909090909091, 0.0454545454545], [0.128205128205, 0.0909090909091, 0.0454545454545], [0.153846153846, 0.0909090909091, 0.0454545454545], [0.179487179487, 0.0909090909091, 0.0454545454545], [0.205128205128, 0.0909090909091, 0.0454545454545], [0.230769230769, 0.0909090909091, 0.0454545454545], [0.25641025641, 0.0909090909091, 0.0454545454545], [0.282051282051, 0.0909090909091, 0.0454545454545], [0.307692307692, 0.0909090909091, 0.0454545454545], [0.333333333333, 0.0909090909091, 0.0454545454545], [0.358974358974, 0.0909090909091, 0.0454545454545], [0.384615384615, 0.0909090909091, 0.0454545454545], [0.410256410256, 0.0909090909091, 0.0454545454545], [0.435897435897, 0.0909090909091, 0.0454545454545], [0.461538461538, 0.0909090909091, 0.0454545454545], [0.487179487179, 0.0909090909091, 0.0454545454545], [0.0, 0.136363636364, 0.0454545454545], [0.025641025641, 0.136363636364, 0.0454545454545], [0.0512820512821, 0.136363636364, 0.0454545454545], [0.0769230769231, 0.136363636364, 0.0454545454545], [0.102564102564, 0.136363636364, 0.0454545454545], [0.128205128205, 0.136363636364, 0.0454545454545], [0.153846153846, 0.136363636364, 0.0454545454545], [0.179487179487, 0.136363636364, 0.0454545454545], [0.205128205128, 0.136363636364, 0.0454545454545], [0.230769230769, 0.136363636364, 0.0454545454545], [0.25641025641, 0.136363636364, 0.0454545454545], [0.282051282051, 0.136363636364, 0.0454545454545], [0.307692307692, 0.136363636364, 0.0454545454545], [0.333333333333, 0.136363636364, 0.0454545454545], [0.358974358974, 0.136363636364, 0.0454545454545], [0.384615384615, 0.136363636364, 0.0454545454545], [0.410256410256, 0.136363636364, 0.0454545454545], [0.435897435897, 0.136363636364, 0.0454545454545], [0.461538461538, 0.136363636364, 0.0454545454545], [0.487179487179, 0.136363636364, 0.0454545454545], [0.0, 0.181818181818, 0.0454545454545], [0.025641025641, 0.181818181818, 0.0454545454545], [0.0512820512821, 0.181818181818, 0.0454545454545], [0.0769230769231, 0.181818181818, 0.0454545454545], [0.102564102564, 0.181818181818, 0.0454545454545], [0.128205128205, 0.181818181818, 0.0454545454545], [0.153846153846, 0.181818181818, 0.0454545454545], [0.179487179487, 0.181818181818, 0.0454545454545], [0.205128205128, 0.181818181818, 0.0454545454545], [0.230769230769, 0.181818181818, 0.0454545454545], [0.25641025641, 0.181818181818, 0.0454545454545], [0.282051282051, 0.181818181818, 0.0454545454545], [0.307692307692, 0.181818181818, 0.0454545454545], [0.333333333333, 0.181818181818, 0.0454545454545], [0.358974358974, 0.181818181818, 0.0454545454545], [0.384615384615, 0.181818181818, 0.0454545454545], [0.410256410256, 0.181818181818, 0.0454545454545], [0.435897435897, 0.181818181818, 0.0454545454545], [0.461538461538, 0.181818181818, 0.0454545454545], [0.487179487179, 0.181818181818, 0.0454545454545], [0.0, 0.227272727273, 0.0454545454545], [0.025641025641, 0.227272727273, 0.0454545454545], [0.0512820512821, 0.227272727273, 0.0454545454545], [0.0769230769231, 0.227272727273, 0.0454545454545], [0.102564102564, 0.227272727273, 0.0454545454545], [0.128205128205, 0.227272727273, 0.0454545454545], [0.153846153846, 0.227272727273, 0.0454545454545], [0.179487179487, 0.227272727273, 0.0454545454545], [0.205128205128, 0.227272727273, 0.0454545454545], [0.230769230769, 0.227272727273, 0.0454545454545], [0.25641025641, 0.227272727273, 0.0454545454545], [0.282051282051, 0.227272727273, 0.0454545454545], [0.307692307692, 0.227272727273, 0.0454545454545], [0.333333333333, 0.227272727273, 0.0454545454545], [0.358974358974, 0.227272727273, 0.0454545454545], [0.384615384615, 0.227272727273, 0.0454545454545], [0.410256410256, 0.227272727273, 0.0454545454545], [0.435897435897, 0.227272727273, 0.0454545454545], [0.461538461538, 0.227272727273, 0.0454545454545], [0.487179487179, 0.227272727273, 0.0454545454545], [0.0, 0.272727272727, 0.0454545454545], [0.025641025641, 0.272727272727, 0.0454545454545], [0.0512820512821, 0.272727272727, 0.0454545454545], [0.0769230769231, 0.272727272727, 0.0454545454545], [0.102564102564, 0.272727272727, 0.0454545454545], [0.128205128205, 0.272727272727, 0.0454545454545], [0.153846153846, 0.272727272727, 0.0454545454545], [0.179487179487, 0.272727272727, 0.0454545454545], [0.205128205128, 0.272727272727, 0.0454545454545], [0.230769230769, 0.272727272727, 0.0454545454545], [0.25641025641, 0.272727272727, 0.0454545454545], [0.282051282051, 0.272727272727, 0.0454545454545], [0.307692307692, 0.272727272727, 0.0454545454545], [0.333333333333, 0.272727272727, 0.0454545454545], [0.358974358974, 0.272727272727, 0.0454545454545], [0.384615384615, 0.272727272727, 0.0454545454545], [0.410256410256, 0.272727272727, 0.0454545454545], [0.435897435897, 0.272727272727, 0.0454545454545], [0.461538461538, 0.272727272727, 0.0454545454545], [0.487179487179, 0.272727272727, 0.0454545454545], [0.0, 0.318181818182, 0.0454545454545], [0.025641025641, 0.318181818182, 0.0454545454545], [0.0512820512821, 0.318181818182, 0.0454545454545], [0.0769230769231, 0.318181818182, 0.0454545454545], [0.102564102564, 0.318181818182, 0.0454545454545], [0.128205128205, 0.318181818182, 0.0454545454545], [0.153846153846, 0.318181818182, 0.0454545454545], [0.179487179487, 0.318181818182, 0.0454545454545], [0.205128205128, 0.318181818182, 0.0454545454545], [0.230769230769, 0.318181818182, 0.0454545454545], [0.25641025641, 0.318181818182, 0.0454545454545], [0.282051282051, 0.318181818182, 0.0454545454545], [0.307692307692, 0.318181818182, 0.0454545454545], [0.333333333333, 0.318181818182, 0.0454545454545], [0.358974358974, 0.318181818182, 0.0454545454545], [0.384615384615, 0.318181818182, 0.0454545454545], [0.410256410256, 0.318181818182, 0.0454545454545], [0.435897435897, 0.318181818182, 0.0454545454545], [0.461538461538, 0.318181818182, 0.0454545454545], [0.487179487179, 0.318181818182, 0.0454545454545], [0.0, 0.363636363636, 0.0454545454545], [0.025641025641, 0.363636363636, 0.0454545454545], [0.0512820512821, 0.363636363636, 0.0454545454545], [0.0769230769231, 0.363636363636, 0.0454545454545], [0.102564102564, 0.363636363636, 0.0454545454545], [0.128205128205, 0.363636363636, 0.0454545454545], [0.153846153846, 0.363636363636, 0.0454545454545], [0.179487179487, 0.363636363636, 0.0454545454545], [0.205128205128, 0.363636363636, 0.0454545454545], [0.230769230769, 0.363636363636, 0.0454545454545], [0.25641025641, 0.363636363636, 0.0454545454545], [0.282051282051, 0.363636363636, 0.0454545454545], [0.307692307692, 0.363636363636, 0.0454545454545], [0.333333333333, 0.363636363636, 0.0454545454545], [0.358974358974, 0.363636363636, 0.0454545454545], [0.384615384615, 0.363636363636, 0.0454545454545], [0.410256410256, 0.363636363636, 0.0454545454545], [0.435897435897, 0.363636363636, 0.0454545454545], [0.461538461538, 0.363636363636, 0.0454545454545], [0.487179487179, 0.363636363636, 0.0454545454545], [0.0, 0.409090909091, 0.0454545454545], [0.025641025641, 0.409090909091, 0.0454545454545], [0.0512820512821, 0.409090909091, 0.0454545454545], [0.0769230769231, 0.409090909091, 0.0454545454545], [0.102564102564, 0.409090909091, 0.0454545454545], [0.128205128205, 0.409090909091, 0.0454545454545], [0.153846153846, 0.409090909091, 0.0454545454545], [0.179487179487, 0.409090909091, 0.0454545454545], [0.205128205128, 0.409090909091, 0.0454545454545], [0.230769230769, 0.409090909091, 0.0454545454545], [0.25641025641, 0.409090909091, 0.0454545454545], [0.282051282051, 0.409090909091, 0.0454545454545], [0.307692307692, 0.409090909091, 0.0454545454545], [0.333333333333, 0.409090909091, 0.0454545454545], [0.358974358974, 0.409090909091, 0.0454545454545], [0.384615384615, 0.409090909091, 0.0454545454545], [0.410256410256, 0.409090909091, 0.0454545454545], [0.435897435897, 0.409090909091, 0.0454545454545], [0.461538461538, 0.409090909091, 0.0454545454545], [0.487179487179, 0.409090909091, 0.0454545454545], [0.0, 0.454545454545, 0.0454545454545], [0.025641025641, 0.454545454545, 0.0454545454545], [0.0512820512821, 0.454545454545, 0.0454545454545], [0.0769230769231, 0.454545454545, 0.0454545454545], [0.102564102564, 0.454545454545, 0.0454545454545], [0.128205128205, 0.454545454545, 0.0454545454545], [0.153846153846, 0.454545454545, 0.0454545454545], [0.179487179487, 0.454545454545, 0.0454545454545], [0.205128205128, 0.454545454545, 0.0454545454545], [0.230769230769, 0.454545454545, 0.0454545454545], [0.25641025641, 0.454545454545, 0.0454545454545], [0.282051282051, 0.454545454545, 0.0454545454545], [0.307692307692, 0.454545454545, 0.0454545454545], [0.333333333333, 0.454545454545, 0.0454545454545], [0.358974358974, 0.454545454545, 0.0454545454545], [0.384615384615, 0.454545454545, 0.0454545454545], [0.410256410256, 0.454545454545, 0.0454545454545], [0.435897435897, 0.454545454545, 0.0454545454545], [0.461538461538, 0.454545454545, 0.0454545454545], [0.487179487179, 0.454545454545, 0.0454545454545], [0.0, 0.0909090909091, 0.0909090909091], [0.025641025641, 0.0909090909091, 0.0909090909091], [0.0512820512821, 0.0909090909091, 0.0909090909091], [0.0769230769231, 0.0909090909091, 0.0909090909091], [0.102564102564, 0.0909090909091, 0.0909090909091], [0.128205128205, 0.0909090909091, 0.0909090909091], [0.153846153846, 0.0909090909091, 0.0909090909091], [0.179487179487, 0.0909090909091, 0.0909090909091], [0.205128205128, 0.0909090909091, 0.0909090909091], [0.230769230769, 0.0909090909091, 0.0909090909091], [0.25641025641, 0.0909090909091, 0.0909090909091], [0.282051282051, 0.0909090909091, 0.0909090909091], [0.307692307692, 0.0909090909091, 0.0909090909091], [0.333333333333, 0.0909090909091, 0.0909090909091], [0.358974358974, 0.0909090909091, 0.0909090909091], [0.384615384615, 0.0909090909091, 0.0909090909091], [0.410256410256, 0.0909090909091, 0.0909090909091], [0.435897435897, 0.0909090909091, 0.0909090909091], [0.461538461538, 0.0909090909091, 0.0909090909091], [0.487179487179, 0.0909090909091, 0.0909090909091], [0.0, 0.136363636364, 0.0909090909091], [0.025641025641, 0.136363636364, 0.0909090909091], [0.0512820512821, 0.136363636364, 0.0909090909091], [0.0769230769231, 0.136363636364, 0.0909090909091], [0.102564102564, 0.136363636364, 0.0909090909091], [0.128205128205, 0.136363636364, 0.0909090909091], [0.153846153846, 0.136363636364, 0.0909090909091], [0.179487179487, 0.136363636364, 0.0909090909091], [0.205128205128, 0.136363636364, 0.0909090909091], [0.230769230769, 0.136363636364, 0.0909090909091], [0.25641025641, 0.136363636364, 0.0909090909091], [0.282051282051, 0.136363636364, 0.0909090909091], [0.307692307692, 0.136363636364, 0.0909090909091], [0.333333333333, 0.136363636364, 0.0909090909091], [0.358974358974, 0.136363636364, 0.0909090909091], [0.384615384615, 0.136363636364, 0.0909090909091], [0.410256410256, 0.136363636364, 0.0909090909091], [0.435897435897, 0.136363636364, 0.0909090909091], [0.461538461538, 0.136363636364, 0.0909090909091], [0.487179487179, 0.136363636364, 0.0909090909091], [0.0, 0.181818181818, 0.0909090909091], [0.025641025641, 0.181818181818, 0.0909090909091], [0.0512820512821, 0.181818181818, 0.0909090909091], [0.0769230769231, 0.181818181818, 0.0909090909091], [0.102564102564, 0.181818181818, 0.0909090909091], [0.128205128205, 0.181818181818, 0.0909090909091], [0.153846153846, 0.181818181818, 0.0909090909091], [0.179487179487, 0.181818181818, 0.0909090909091], [0.205128205128, 0.181818181818, 0.0909090909091], [0.230769230769, 0.181818181818, 0.0909090909091], [0.25641025641, 0.181818181818, 0.0909090909091], [0.282051282051, 0.181818181818, 0.0909090909091], [0.307692307692, 0.181818181818, 0.0909090909091], [0.333333333333, 0.181818181818, 0.0909090909091], [0.358974358974, 0.181818181818, 0.0909090909091], [0.384615384615, 0.181818181818, 0.0909090909091], [0.410256410256, 0.181818181818, 0.0909090909091], [0.435897435897, 0.181818181818, 0.0909090909091], [0.461538461538, 0.181818181818, 0.0909090909091], [0.487179487179, 0.181818181818, 0.0909090909091], [0.0, 0.227272727273, 0.0909090909091], [0.025641025641, 0.227272727273, 0.0909090909091], [0.0512820512821, 0.227272727273, 0.0909090909091], [0.0769230769231, 0.227272727273, 0.0909090909091], [0.102564102564, 0.227272727273, 0.0909090909091], [0.128205128205, 0.227272727273, 0.0909090909091], [0.153846153846, 0.227272727273, 0.0909090909091], [0.179487179487, 0.227272727273, 0.0909090909091], [0.205128205128, 0.227272727273, 0.0909090909091], [0.230769230769, 0.227272727273, 0.0909090909091], [0.25641025641, 0.227272727273, 0.0909090909091], [0.282051282051, 0.227272727273, 0.0909090909091], [0.307692307692, 0.227272727273, 0.0909090909091], [0.333333333333, 0.227272727273, 0.0909090909091], [0.358974358974, 0.227272727273, 0.0909090909091], [0.384615384615, 0.227272727273, 0.0909090909091], [0.410256410256, 0.227272727273, 0.0909090909091], [0.435897435897, 0.227272727273, 0.0909090909091], [0.461538461538, 0.227272727273, 0.0909090909091], [0.487179487179, 0.227272727273, 0.0909090909091], [0.0, 0.272727272727, 0.0909090909091], [0.025641025641, 0.272727272727, 0.0909090909091], [0.0512820512821, 0.272727272727, 0.0909090909091], [0.0769230769231, 0.272727272727, 0.0909090909091], [0.102564102564, 0.272727272727, 0.0909090909091], [0.128205128205, 0.272727272727, 0.0909090909091], [0.153846153846, 0.272727272727, 0.0909090909091], [0.179487179487, 0.272727272727, 0.0909090909091], [0.205128205128, 0.272727272727, 0.0909090909091], [0.230769230769, 0.272727272727, 0.0909090909091], [0.25641025641, 0.272727272727, 0.0909090909091], [0.282051282051, 0.272727272727, 0.0909090909091], [0.307692307692, 0.272727272727, 0.0909090909091], [0.333333333333, 0.272727272727, 0.0909090909091], [0.358974358974, 0.272727272727, 0.0909090909091], [0.384615384615, 0.272727272727, 0.0909090909091], [0.410256410256, 0.272727272727, 0.0909090909091], [0.435897435897, 0.272727272727, 0.0909090909091], [0.461538461538, 0.272727272727, 0.0909090909091], [0.487179487179, 0.272727272727, 0.0909090909091], [0.0, 0.318181818182, 0.0909090909091], [0.025641025641, 0.318181818182, 0.0909090909091], [0.0512820512821, 0.318181818182, 0.0909090909091], [0.0769230769231, 0.318181818182, 0.0909090909091], [0.102564102564, 0.318181818182, 0.0909090909091], [0.128205128205, 0.318181818182, 0.0909090909091], [0.153846153846, 0.318181818182, 0.0909090909091], [0.179487179487, 0.318181818182, 0.0909090909091], [0.205128205128, 0.318181818182, 0.0909090909091], [0.230769230769, 0.318181818182, 0.0909090909091], [0.25641025641, 0.318181818182, 0.0909090909091], [0.282051282051, 0.318181818182, 0.0909090909091], [0.307692307692, 0.318181818182, 0.0909090909091], [0.333333333333, 0.318181818182, 0.0909090909091], [0.358974358974, 0.318181818182, 0.0909090909091], [0.384615384615, 0.318181818182, 0.0909090909091], [0.410256410256, 0.318181818182, 0.0909090909091], [0.435897435897, 0.318181818182, 0.0909090909091], [0.461538461538, 0.318181818182, 0.0909090909091], [0.487179487179, 0.318181818182, 0.0909090909091], [0.0, 0.363636363636, 0.0909090909091], [0.025641025641, 0.363636363636, 0.0909090909091], [0.0512820512821, 0.363636363636, 0.0909090909091], [0.0769230769231, 0.363636363636, 0.0909090909091], [0.102564102564, 0.363636363636, 0.0909090909091], [0.128205128205, 0.363636363636, 0.0909090909091], [0.153846153846, 0.363636363636, 0.0909090909091], [0.179487179487, 0.363636363636, 0.0909090909091], [0.205128205128, 0.363636363636, 0.0909090909091], [0.230769230769, 0.363636363636, 0.0909090909091], [0.25641025641, 0.363636363636, 0.0909090909091], [0.282051282051, 0.363636363636, 0.0909090909091], [0.307692307692, 0.363636363636, 0.0909090909091], [0.333333333333, 0.363636363636, 0.0909090909091], [0.358974358974, 0.363636363636, 0.0909090909091], [0.384615384615, 0.363636363636, 0.0909090909091], [0.410256410256, 0.363636363636, 0.0909090909091], [0.435897435897, 0.363636363636, 0.0909090909091], [0.461538461538, 0.363636363636, 0.0909090909091], [0.487179487179, 0.363636363636, 0.0909090909091], [0.0, 0.409090909091, 0.0909090909091], [0.025641025641, 0.409090909091, 0.0909090909091], [0.0512820512821, 0.409090909091, 0.0909090909091], [0.0769230769231, 0.409090909091, 0.0909090909091], [0.102564102564, 0.409090909091, 0.0909090909091], [0.128205128205, 0.409090909091, 0.0909090909091], [0.153846153846, 0.409090909091, 0.0909090909091], [0.179487179487, 0.409090909091, 0.0909090909091], [0.205128205128, 0.409090909091, 0.0909090909091], [0.230769230769, 0.409090909091, 0.0909090909091], [0.25641025641, 0.409090909091, 0.0909090909091], [0.282051282051, 0.409090909091, 0.0909090909091], [0.307692307692, 0.409090909091, 0.0909090909091], [0.333333333333, 0.409090909091, 0.0909090909091], [0.358974358974, 0.409090909091, 0.0909090909091], [0.384615384615, 0.409090909091, 0.0909090909091], [0.410256410256, 0.409090909091, 0.0909090909091], [0.435897435897, 0.409090909091, 0.0909090909091], [0.461538461538, 0.409090909091, 0.0909090909091], [0.487179487179, 0.409090909091, 0.0909090909091], [0.0, 0.454545454545, 0.0909090909091], [0.025641025641, 0.454545454545, 0.0909090909091], [0.0512820512821, 0.454545454545, 0.0909090909091], [0.0769230769231, 0.454545454545, 0.0909090909091], [0.102564102564, 0.454545454545, 0.0909090909091], [0.128205128205, 0.454545454545, 0.0909090909091], [0.153846153846, 0.454545454545, 0.0909090909091], [0.179487179487, 0.454545454545, 0.0909090909091], [0.205128205128, 0.454545454545, 0.0909090909091], [0.230769230769, 0.454545454545, 0.0909090909091], [0.25641025641, 0.454545454545, 0.0909090909091], [0.282051282051, 0.454545454545, 0.0909090909091], [0.307692307692, 0.454545454545, 0.0909090909091], [0.333333333333, 0.454545454545, 0.0909090909091], [0.358974358974, 0.454545454545, 0.0909090909091], [0.384615384615, 0.454545454545, 0.0909090909091], [0.410256410256, 0.454545454545, 0.0909090909091], [0.435897435897, 0.454545454545, 0.0909090909091], [0.461538461538, 0.454545454545, 0.0909090909091], [0.487179487179, 0.454545454545, 0.0909090909091], [0.0, 0.136363636364, 0.136363636364], [0.025641025641, 0.136363636364, 0.136363636364], [0.0512820512821, 0.136363636364, 0.136363636364], [0.0769230769231, 0.136363636364, 0.136363636364], [0.102564102564, 0.136363636364, 0.136363636364], [0.128205128205, 0.136363636364, 0.136363636364], [0.153846153846, 0.136363636364, 0.136363636364], [0.179487179487, 0.136363636364, 0.136363636364], [0.205128205128, 0.136363636364, 0.136363636364], [0.230769230769, 0.136363636364, 0.136363636364], [0.25641025641, 0.136363636364, 0.136363636364], [0.282051282051, 0.136363636364, 0.136363636364], [0.307692307692, 0.136363636364, 0.136363636364], [0.333333333333, 0.136363636364, 0.136363636364], [0.358974358974, 0.136363636364, 0.136363636364], [0.384615384615, 0.136363636364, 0.136363636364], [0.410256410256, 0.136363636364, 0.136363636364], [0.435897435897, 0.136363636364, 0.136363636364], [0.461538461538, 0.136363636364, 0.136363636364], [0.487179487179, 0.136363636364, 0.136363636364], [0.0, 0.181818181818, 0.136363636364], [0.025641025641, 0.181818181818, 0.136363636364], [0.0512820512821, 0.181818181818, 0.136363636364], [0.0769230769231, 0.181818181818, 0.136363636364], [0.102564102564, 0.181818181818, 0.136363636364], [0.128205128205, 0.181818181818, 0.136363636364], [0.153846153846, 0.181818181818, 0.136363636364], [0.179487179487, 0.181818181818, 0.136363636364], [0.205128205128, 0.181818181818, 0.136363636364], [0.230769230769, 0.181818181818, 0.136363636364], [0.25641025641, 0.181818181818, 0.136363636364], [0.282051282051, 0.181818181818, 0.136363636364], [0.307692307692, 0.181818181818, 0.136363636364], [0.333333333333, 0.181818181818, 0.136363636364], [0.358974358974, 0.181818181818, 0.136363636364], [0.384615384615, 0.181818181818, 0.136363636364], [0.410256410256, 0.181818181818, 0.136363636364], [0.435897435897, 0.181818181818, 0.136363636364], [0.461538461538, 0.181818181818, 0.136363636364], [0.487179487179, 0.181818181818, 0.136363636364], [0.0, 0.227272727273, 0.136363636364], [0.025641025641, 0.227272727273, 0.136363636364], [0.0512820512821, 0.227272727273, 0.136363636364], [0.0769230769231, 0.227272727273, 0.136363636364], [0.102564102564, 0.227272727273, 0.136363636364], [0.128205128205, 0.227272727273, 0.136363636364], [0.153846153846, 0.227272727273, 0.136363636364], [0.179487179487, 0.227272727273, 0.136363636364], [0.205128205128, 0.227272727273, 0.136363636364], [0.230769230769, 0.227272727273, 0.136363636364], [0.25641025641, 0.227272727273, 0.136363636364], [0.282051282051, 0.227272727273, 0.136363636364], [0.307692307692, 0.227272727273, 0.136363636364], [0.333333333333, 0.227272727273, 0.136363636364], [0.358974358974, 0.227272727273, 0.136363636364], [0.384615384615, 0.227272727273, 0.136363636364], [0.410256410256, 0.227272727273, 0.136363636364], [0.435897435897, 0.227272727273, 0.136363636364], [0.461538461538, 0.227272727273, 0.136363636364], [0.487179487179, 0.227272727273, 0.136363636364], [0.0, 0.272727272727, 0.136363636364], [0.025641025641, 0.272727272727, 0.136363636364], [0.0512820512821, 0.272727272727, 0.136363636364], [0.0769230769231, 0.272727272727, 0.136363636364], [0.102564102564, 0.272727272727, 0.136363636364], [0.128205128205, 0.272727272727, 0.136363636364], [0.153846153846, 0.272727272727, 0.136363636364], [0.179487179487, 0.272727272727, 0.136363636364], [0.205128205128, 0.272727272727, 0.136363636364], [0.230769230769, 0.272727272727, 0.136363636364], [0.25641025641, 0.272727272727, 0.136363636364], [0.282051282051, 0.272727272727, 0.136363636364], [0.307692307692, 0.272727272727, 0.136363636364], [0.333333333333, 0.272727272727, 0.136363636364], [0.358974358974, 0.272727272727, 0.136363636364], [0.384615384615, 0.272727272727, 0.136363636364], [0.410256410256, 0.272727272727, 0.136363636364], [0.435897435897, 0.272727272727, 0.136363636364], [0.461538461538, 0.272727272727, 0.136363636364], [0.487179487179, 0.272727272727, 0.136363636364], [0.0, 0.318181818182, 0.136363636364], [0.025641025641, 0.318181818182, 0.136363636364], [0.0512820512821, 0.318181818182, 0.136363636364], [0.0769230769231, 0.318181818182, 0.136363636364], [0.102564102564, 0.318181818182, 0.136363636364], [0.128205128205, 0.318181818182, 0.136363636364], [0.153846153846, 0.318181818182, 0.136363636364], [0.179487179487, 0.318181818182, 0.136363636364], [0.205128205128, 0.318181818182, 0.136363636364], [0.230769230769, 0.318181818182, 0.136363636364], [0.25641025641, 0.318181818182, 0.136363636364], [0.282051282051, 0.318181818182, 0.136363636364], [0.307692307692, 0.318181818182, 0.136363636364], [0.333333333333, 0.318181818182, 0.136363636364], [0.358974358974, 0.318181818182, 0.136363636364], [0.384615384615, 0.318181818182, 0.136363636364], [0.410256410256, 0.318181818182, 0.136363636364], [0.435897435897, 0.318181818182, 0.136363636364], [0.461538461538, 0.318181818182, 0.136363636364], [0.487179487179, 0.318181818182, 0.136363636364], [0.0, 0.363636363636, 0.136363636364], [0.025641025641, 0.363636363636, 0.136363636364], [0.0512820512821, 0.363636363636, 0.136363636364], [0.0769230769231, 0.363636363636, 0.136363636364], [0.102564102564, 0.363636363636, 0.136363636364], [0.128205128205, 0.363636363636, 0.136363636364], [0.153846153846, 0.363636363636, 0.136363636364], [0.179487179487, 0.363636363636, 0.136363636364], [0.205128205128, 0.363636363636, 0.136363636364], [0.230769230769, 0.363636363636, 0.136363636364], [0.25641025641, 0.363636363636, 0.136363636364], [0.282051282051, 0.363636363636, 0.136363636364], [0.307692307692, 0.363636363636, 0.136363636364], [0.333333333333, 0.363636363636, 0.136363636364], [0.358974358974, 0.363636363636, 0.136363636364], [0.384615384615, 0.363636363636, 0.136363636364], [0.410256410256, 0.363636363636, 0.136363636364], [0.435897435897, 0.363636363636, 0.136363636364], [0.461538461538, 0.363636363636, 0.136363636364], [0.487179487179, 0.363636363636, 0.136363636364], [0.0, 0.409090909091, 0.136363636364], [0.025641025641, 0.409090909091, 0.136363636364], [0.0512820512821, 0.409090909091, 0.136363636364], [0.0769230769231, 0.409090909091, 0.136363636364], [0.102564102564, 0.409090909091, 0.136363636364], [0.128205128205, 0.409090909091, 0.136363636364], [0.153846153846, 0.409090909091, 0.136363636364], [0.179487179487, 0.409090909091, 0.136363636364], [0.205128205128, 0.409090909091, 0.136363636364], [0.230769230769, 0.409090909091, 0.136363636364], [0.25641025641, 0.409090909091, 0.136363636364], [0.282051282051, 0.409090909091, 0.136363636364], [0.307692307692, 0.409090909091, 0.136363636364], [0.333333333333, 0.409090909091, 0.136363636364], [0.358974358974, 0.409090909091, 0.136363636364], [0.384615384615, 0.409090909091, 0.136363636364], [0.410256410256, 0.409090909091, 0.136363636364], [0.435897435897, 0.409090909091, 0.136363636364], [0.461538461538, 0.409090909091, 0.136363636364], [0.487179487179, 0.409090909091, 0.136363636364], [0.0, 0.181818181818, 0.181818181818], [0.025641025641, 0.181818181818, 0.181818181818], [0.0512820512821, 0.181818181818, 0.181818181818], [0.0769230769231, 0.181818181818, 0.181818181818], [0.102564102564, 0.181818181818, 0.181818181818], [0.128205128205, 0.181818181818, 0.181818181818], [0.153846153846, 0.181818181818, 0.181818181818], [0.179487179487, 0.181818181818, 0.181818181818], [0.205128205128, 0.181818181818, 0.181818181818], [0.230769230769, 0.181818181818, 0.181818181818], [0.25641025641, 0.181818181818, 0.181818181818], [0.282051282051, 0.181818181818, 0.181818181818], [0.307692307692, 0.181818181818, 0.181818181818], [0.333333333333, 0.181818181818, 0.181818181818], [0.358974358974, 0.181818181818, 0.181818181818], [0.384615384615, 0.181818181818, 0.181818181818], [0.410256410256, 0.181818181818, 0.181818181818], [0.435897435897, 0.181818181818, 0.181818181818], [0.461538461538, 0.181818181818, 0.181818181818], [0.487179487179, 0.181818181818, 0.181818181818], [0.0, 0.227272727273, 0.181818181818], [0.025641025641, 0.227272727273, 0.181818181818], [0.0512820512821, 0.227272727273, 0.181818181818], [0.0769230769231, 0.227272727273, 0.181818181818], [0.102564102564, 0.227272727273, 0.181818181818], [0.128205128205, 0.227272727273, 0.181818181818], [0.153846153846, 0.227272727273, 0.181818181818], [0.179487179487, 0.227272727273, 0.181818181818], [0.205128205128, 0.227272727273, 0.181818181818], [0.230769230769, 0.227272727273, 0.181818181818], [0.25641025641, 0.227272727273, 0.181818181818], [0.282051282051, 0.227272727273, 0.181818181818], [0.307692307692, 0.227272727273, 0.181818181818], [0.333333333333, 0.227272727273, 0.181818181818], [0.358974358974, 0.227272727273, 0.181818181818], [0.384615384615, 0.227272727273, 0.181818181818], [0.410256410256, 0.227272727273, 0.181818181818], [0.435897435897, 0.227272727273, 0.181818181818], [0.461538461538, 0.227272727273, 0.181818181818], [0.487179487179, 0.227272727273, 0.181818181818], [0.0, 0.272727272727, 0.181818181818], [0.025641025641, 0.272727272727, 0.181818181818], [0.0512820512821, 0.272727272727, 0.181818181818], [0.0769230769231, 0.272727272727, 0.181818181818], [0.102564102564, 0.272727272727, 0.181818181818], [0.128205128205, 0.272727272727, 0.181818181818], [0.153846153846, 0.272727272727, 0.181818181818], [0.179487179487, 0.272727272727, 0.181818181818], [0.205128205128, 0.272727272727, 0.181818181818], [0.230769230769, 0.272727272727, 0.181818181818], [0.25641025641, 0.272727272727, 0.181818181818], [0.282051282051, 0.272727272727, 0.181818181818], [0.307692307692, 0.272727272727, 0.181818181818], [0.333333333333, 0.272727272727, 0.181818181818], [0.358974358974, 0.272727272727, 0.181818181818], [0.384615384615, 0.272727272727, 0.181818181818], [0.410256410256, 0.272727272727, 0.181818181818], [0.435897435897, 0.272727272727, 0.181818181818], [0.461538461538, 0.272727272727, 0.181818181818], [0.487179487179, 0.272727272727, 0.181818181818], [0.0, 0.318181818182, 0.181818181818], [0.025641025641, 0.318181818182, 0.181818181818], [0.0512820512821, 0.318181818182, 0.181818181818], [0.0769230769231, 0.318181818182, 0.181818181818], [0.102564102564, 0.318181818182, 0.181818181818], [0.128205128205, 0.318181818182, 0.181818181818], [0.153846153846, 0.318181818182, 0.181818181818], [0.179487179487, 0.318181818182, 0.181818181818], [0.205128205128, 0.318181818182, 0.181818181818], [0.230769230769, 0.318181818182, 0.181818181818], [0.25641025641, 0.318181818182, 0.181818181818], [0.282051282051, 0.318181818182, 0.181818181818], [0.307692307692, 0.318181818182, 0.181818181818], [0.333333333333, 0.318181818182, 0.181818181818], [0.358974358974, 0.318181818182, 0.181818181818], [0.384615384615, 0.318181818182, 0.181818181818], [0.410256410256, 0.318181818182, 0.181818181818], [0.435897435897, 0.318181818182, 0.181818181818], [0.461538461538, 0.318181818182, 0.181818181818], [0.487179487179, 0.318181818182, 0.181818181818], [0.0, 0.363636363636, 0.181818181818], [0.025641025641, 0.363636363636, 0.181818181818], [0.0512820512821, 0.363636363636, 0.181818181818], [0.0769230769231, 0.363636363636, 0.181818181818], [0.102564102564, 0.363636363636, 0.181818181818], [0.128205128205, 0.363636363636, 0.181818181818], [0.153846153846, 0.363636363636, 0.181818181818], [0.179487179487, 0.363636363636, 0.181818181818], [0.205128205128, 0.363636363636, 0.181818181818], [0.230769230769, 0.363636363636, 0.181818181818], [0.25641025641, 0.363636363636, 0.181818181818], [0.282051282051, 0.363636363636, 0.181818181818], [0.307692307692, 0.363636363636, 0.181818181818], [0.333333333333, 0.363636363636, 0.181818181818], [0.358974358974, 0.363636363636, 0.181818181818], [0.384615384615, 0.363636363636, 0.181818181818], [0.410256410256, 0.363636363636, 0.181818181818], [0.435897435897, 0.363636363636, 0.181818181818], [0.461538461538, 0.363636363636, 0.181818181818], [0.487179487179, 0.363636363636, 0.181818181818], [0.0, 0.409090909091, 0.181818181818], [0.025641025641, 0.409090909091, 0.181818181818], [0.0512820512821, 0.409090909091, 0.181818181818], [0.0769230769231, 0.409090909091, 0.181818181818], [0.102564102564, 0.409090909091, 0.181818181818], [0.128205128205, 0.409090909091, 0.181818181818], [0.153846153846, 0.409090909091, 0.181818181818], [0.179487179487, 0.409090909091, 0.181818181818], [0.205128205128, 0.409090909091, 0.181818181818], [0.230769230769, 0.409090909091, 0.181818181818], [0.25641025641, 0.409090909091, 0.181818181818], [0.282051282051, 0.409090909091, 0.181818181818], [0.307692307692, 0.409090909091, 0.181818181818], [0.333333333333, 0.409090909091, 0.181818181818], [0.358974358974, 0.409090909091, 0.181818181818], [0.384615384615, 0.409090909091, 0.181818181818], [0.410256410256, 0.409090909091, 0.181818181818], [0.435897435897, 0.409090909091, 0.181818181818], [0.461538461538, 0.409090909091, 0.181818181818], [0.487179487179, 0.409090909091, 0.181818181818], [0.0, 0.227272727273, 0.227272727273], [0.025641025641, 0.227272727273, 0.227272727273], [0.0512820512821, 0.227272727273, 0.227272727273], [0.0769230769231, 0.227272727273, 0.227272727273], [0.102564102564, 0.227272727273, 0.227272727273], [0.128205128205, 0.227272727273, 0.227272727273], [0.153846153846, 0.227272727273, 0.227272727273], [0.179487179487, 0.227272727273, 0.227272727273], [0.205128205128, 0.227272727273, 0.227272727273], [0.230769230769, 0.227272727273, 0.227272727273], [0.25641025641, 0.227272727273, 0.227272727273], [0.282051282051, 0.227272727273, 0.227272727273], [0.307692307692, 0.227272727273, 0.227272727273], [0.333333333333, 0.227272727273, 0.227272727273], [0.358974358974, 0.227272727273, 0.227272727273], [0.384615384615, 0.227272727273, 0.227272727273], [0.410256410256, 0.227272727273, 0.227272727273], [0.435897435897, 0.227272727273, 0.227272727273], [0.461538461538, 0.227272727273, 0.227272727273], [0.487179487179, 0.227272727273, 0.227272727273], [0.0, 0.272727272727, 0.227272727273], [0.025641025641, 0.272727272727, 0.227272727273], [0.0512820512821, 0.272727272727, 0.227272727273], [0.0769230769231, 0.272727272727, 0.227272727273], [0.102564102564, 0.272727272727, 0.227272727273], [0.128205128205, 0.272727272727, 0.227272727273], [0.153846153846, 0.272727272727, 0.227272727273], [0.179487179487, 0.272727272727, 0.227272727273], [0.205128205128, 0.272727272727, 0.227272727273], [0.230769230769, 0.272727272727, 0.227272727273], [0.25641025641, 0.272727272727, 0.227272727273], [0.282051282051, 0.272727272727, 0.227272727273], [0.307692307692, 0.272727272727, 0.227272727273], [0.333333333333, 0.272727272727, 0.227272727273], [0.358974358974, 0.272727272727, 0.227272727273], [0.384615384615, 0.272727272727, 0.227272727273], [0.410256410256, 0.272727272727, 0.227272727273], [0.435897435897, 0.272727272727, 0.227272727273], [0.461538461538, 0.272727272727, 0.227272727273], [0.487179487179, 0.272727272727, 0.227272727273], [0.0, 0.318181818182, 0.227272727273], [0.025641025641, 0.318181818182, 0.227272727273], [0.0512820512821, 0.318181818182, 0.227272727273], [0.0769230769231, 0.318181818182, 0.227272727273], [0.102564102564, 0.318181818182, 0.227272727273], [0.128205128205, 0.318181818182, 0.227272727273], [0.153846153846, 0.318181818182, 0.227272727273], [0.179487179487, 0.318181818182, 0.227272727273], [0.205128205128, 0.318181818182, 0.227272727273], [0.230769230769, 0.318181818182, 0.227272727273], [0.25641025641, 0.318181818182, 0.227272727273], [0.282051282051, 0.318181818182, 0.227272727273], [0.307692307692, 0.318181818182, 0.227272727273], [0.333333333333, 0.318181818182, 0.227272727273], [0.358974358974, 0.318181818182, 0.227272727273], [0.384615384615, 0.318181818182, 0.227272727273], [0.410256410256, 0.318181818182, 0.227272727273], [0.435897435897, 0.318181818182, 0.227272727273], [0.461538461538, 0.318181818182, 0.227272727273], [0.487179487179, 0.318181818182, 0.227272727273], [0.0, 0.363636363636, 0.227272727273], [0.025641025641, 0.363636363636, 0.227272727273], [0.0512820512821, 0.363636363636, 0.227272727273], [0.0769230769231, 0.363636363636, 0.227272727273], [0.102564102564, 0.363636363636, 0.227272727273], [0.128205128205, 0.363636363636, 0.227272727273], [0.153846153846, 0.363636363636, 0.227272727273], [0.179487179487, 0.363636363636, 0.227272727273], [0.205128205128, 0.363636363636, 0.227272727273], [0.230769230769, 0.363636363636, 0.227272727273], [0.25641025641, 0.363636363636, 0.227272727273], [0.282051282051, 0.363636363636, 0.227272727273], [0.307692307692, 0.363636363636, 0.227272727273], [0.333333333333, 0.363636363636, 0.227272727273], [0.358974358974, 0.363636363636, 0.227272727273], [0.384615384615, 0.363636363636, 0.227272727273], [0.410256410256, 0.363636363636, 0.227272727273], [0.435897435897, 0.363636363636, 0.227272727273], [0.461538461538, 0.363636363636, 0.227272727273], [0.487179487179, 0.363636363636, 0.227272727273], [0.0, 0.272727272727, 0.272727272727], [0.025641025641, 0.272727272727, 0.272727272727], [0.0512820512821, 0.272727272727, 0.272727272727], [0.0769230769231, 0.272727272727, 0.272727272727], [0.102564102564, 0.272727272727, 0.272727272727], [0.128205128205, 0.272727272727, 0.272727272727], [0.153846153846, 0.272727272727, 0.272727272727], [0.179487179487, 0.272727272727, 0.272727272727], [0.205128205128, 0.272727272727, 0.272727272727], [0.230769230769, 0.272727272727, 0.272727272727], [0.25641025641, 0.272727272727, 0.272727272727], [0.282051282051, 0.272727272727, 0.272727272727], [0.307692307692, 0.272727272727, 0.272727272727], [0.333333333333, 0.272727272727, 0.272727272727], [0.358974358974, 0.272727272727, 0.272727272727], [0.384615384615, 0.272727272727, 0.272727272727], [0.410256410256, 0.272727272727, 0.272727272727], [0.435897435897, 0.272727272727, 0.272727272727], [0.461538461538, 0.272727272727, 0.272727272727], [0.487179487179, 0.272727272727, 0.272727272727], [0.0, 0.318181818182, 0.272727272727], [0.025641025641, 0.318181818182, 0.272727272727], [0.0512820512821, 0.318181818182, 0.272727272727], [0.0769230769231, 0.318181818182, 0.272727272727], [0.102564102564, 0.318181818182, 0.272727272727], [0.128205128205, 0.318181818182, 0.272727272727], [0.153846153846, 0.318181818182, 0.272727272727], [0.179487179487, 0.318181818182, 0.272727272727], [0.205128205128, 0.318181818182, 0.272727272727], [0.230769230769, 0.318181818182, 0.272727272727], [0.25641025641, 0.318181818182, 0.272727272727], [0.282051282051, 0.318181818182, 0.272727272727], [0.307692307692, 0.318181818182, 0.272727272727], [0.333333333333, 0.318181818182, 0.272727272727], [0.358974358974, 0.318181818182, 0.272727272727], [0.384615384615, 0.318181818182, 0.272727272727], [0.410256410256, 0.318181818182, 0.272727272727], [0.435897435897, 0.318181818182, 0.272727272727], [0.461538461538, 0.318181818182, 0.272727272727], [0.487179487179, 0.318181818182, 0.272727272727], [0.0, 0.363636363636, 0.272727272727], [0.025641025641, 0.363636363636, 0.272727272727], [0.0512820512821, 0.363636363636, 0.272727272727], [0.0769230769231, 0.363636363636, 0.272727272727], [0.102564102564, 0.363636363636, 0.272727272727], [0.128205128205, 0.363636363636, 0.272727272727], [0.153846153846, 0.363636363636, 0.272727272727], [0.179487179487, 0.363636363636, 0.272727272727], [0.205128205128, 0.363636363636, 0.272727272727], [0.230769230769, 0.363636363636, 0.272727272727], [0.25641025641, 0.363636363636, 0.272727272727], [0.282051282051, 0.363636363636, 0.272727272727], [0.307692307692, 0.363636363636, 0.272727272727], [0.333333333333, 0.363636363636, 0.272727272727], [0.358974358974, 0.363636363636, 0.272727272727], [0.384615384615, 0.363636363636, 0.272727272727], [0.410256410256, 0.363636363636, 0.272727272727], [0.435897435897, 0.363636363636, 0.272727272727], [0.461538461538, 0.363636363636, 0.272727272727], [0.487179487179, 0.363636363636, 0.272727272727], [0.0, 0.318181818182, 0.318181818182], [0.025641025641, 0.318181818182, 0.318181818182], [0.0512820512821, 0.318181818182, 0.318181818182], [0.0769230769231, 0.318181818182, 0.318181818182], [0.102564102564, 0.318181818182, 0.318181818182], [0.128205128205, 0.318181818182, 0.318181818182], [0.153846153846, 0.318181818182, 0.318181818182], [0.179487179487, 0.318181818182, 0.318181818182], [0.205128205128, 0.318181818182, 0.318181818182], [0.230769230769, 0.318181818182, 0.318181818182], [0.25641025641, 0.318181818182, 0.318181818182], [0.282051282051, 0.318181818182, 0.318181818182], [0.307692307692, 0.318181818182, 0.318181818182], [0.333333333333, 0.318181818182, 0.318181818182], [0.358974358974, 0.318181818182, 0.318181818182], [0.384615384615, 0.318181818182, 0.318181818182], [0.410256410256, 0.318181818182, 0.318181818182], [0.435897435897, 0.318181818182, 0.318181818182], [0.461538461538, 0.318181818182, 0.318181818182], [0.487179487179, 0.318181818182, 0.318181818182]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 3.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 6.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.00015000000000000001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[6, 6, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.9], [-2.683713, -4.648328, -0.0], [-2.683713, 4.648328, 0.0]], "a": 2.9, "b": 5.367426633122525, "c": 5.367426633122525, "alpha": 120.00000780393492, "beta": 90.0, "gamma": 90.0, "volume": 72.3537140348112}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.3334, 0.6667], "xyz": [-2.6839813713, 1.5492877224, -1.45], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.6666, 0.3333], "xyz": [-2.6834446287, -1.5492877224, -1.45], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Fast", "EDIFF": 0.00015000000000000001, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6], "NCORE": 4, "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 4, 4]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": -0.0010321}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.002}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {"magmom": 0.001}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {"magmom": 0.001}}]}, "nsites": 3, "elements": ["Li"], "nelements": 1, "composition": {"Li": 3.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 60.2058177952507, "density": 0.5743199859440762, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P6/mmm", "number": 191, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6 2"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d87"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-04-21 03:08:35.122000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:24:18.913000"}, "task_ids": ["mp-1271068", "mp-1271671", "mp-1271218", "mp-1271562"], "deprecated_tasks": [], "task_id": "mp-1271068", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA Static", "task_id": "mp-1271068", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:24:18.913000"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA Static", "task_id": "mp-1271068", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:24:18.913000"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1271068", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:24:18.913000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1271068", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:24:18.913000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1271068", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:24:18.913000"}}], "task_types": {"mp-1271068": "GGA Static", "mp-1271218": "GGA Static", "mp-1271671": "GGA Structure Optimization", "mp-1271562": "GGA Structure Optimization"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "cbm": null, "efermi": 5.5286213, "is_gap_direct": false, "is_metal": true, "vbm": null}, "energy": -33.61044852, "energy_per_atom": -8.40261213, "entries": {"gga": {"composition": {"Fe": 4.0}, "energy": -33.61044852, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1271068"}, "entry_id": "mp-1271068"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {}}]}], "inputs": {"static": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-2.225, -2.231, 2.227, 2.228], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 3]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISYM": 0, "LASPH": true, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [-5.0, -5.0, 5.0, 5.0], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.325477, 0.0, -0.82218], [-1.162738, 2.013922, -0.82218], [2.325477, 4.027844, 6.577442]], "a": 2.4665407415911456, "b": 2.4665403769506797, "c": 8.055688290222568, "alpha": 89.99999450798865, "beta": 89.99999419256353, "gamma": 109.47121810510589, "volume": 46.20648382651231}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [1.0, 1.0, 0.5], "xyz": [2.3254775, 4.027844, 1.6443609999999997], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.75], "xyz": [2.3254772499999996, 4.027844, 4.1109015], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.25], "xyz": [1.16273875, 2.013922, 0.8221804999999999], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 3]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": -0.0012232}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {"magmom": -2.218}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {"magmom": -2.217}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {"magmom": 2.217}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {"magmom": 2.216}}]}, "nsites": 4, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 4.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 45.741043013505404, "density": 8.10937368974467, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "I4/mmm", "number": 139, "point_group": "mmm", "crystal_system": "tetragonal", "hall": "-I 4 2"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d85"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-04-21 02:53:03.138000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:31:33.195000"}, "task_ids": ["mp-1271693", "mp-1271198"], "deprecated_tasks": [], "task_id": "mp-1271198", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA Static", "task_id": "mp-1271198", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:31:33.195000"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA Static", "task_id": "mp-1271198", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:31:33.195000"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1271198", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:31:33.195000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1271198", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:31:33.195000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1271198", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:31:33.195000"}}], "task_types": {"mp-1271198": "GGA Static", "mp-1271693": "GGA Structure Optimization"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "cbm": null, "efermi": 5.99606324, "is_gap_direct": false, "is_metal": true, "vbm": null}, "energy": -33.6601167, "energy_per_atom": -8.415029175, "entries": {"gga": {"composition": {"Fe": 4.0}, "energy": -33.6601167, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1271198"}, "entry_id": "mp-1271198"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {}}]}], "inputs": {"static": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-1.382, -1.383, 1.383, 1.382], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 7, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISYM": 0, "LASPH": true, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [-5.0, -5.0, 5.0, 5.0], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.325477, 0.0, -0.82218], [1.162738, 2.013922, 3.288721], [0.0, -4.027844, 2.466541]], "a": 2.4665407415911456, "b": 4.027844000773739, "c": 4.723065931470468, "alpha": 89.99999536215184, "beta": 100.02498588930821, "gamma": 90.00000089825762, "volume": 46.20648850984161}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.0, 0.5], "xyz": [1.1627385, -2.013922, 0.8221805], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25, 0.5, 0.75], "xyz": [1.1627382499999999, -2.013922, 3.28872125], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75, 0.5, 0.25], "xyz": [2.32547675, 0.0, 1.6443607499999997], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 6, 5]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": -5.6e-05}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {"magmom": -1.361}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {"magmom": -1.365}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {"magmom": 1.362}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {"magmom": 1.365}}]}, "nsites": 4, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 4.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 42.607345321236465, "density": 8.70580431516158, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Cmcm", "number": 63, "point_group": "mmm", "crystal_system": "orthorhombic", "hall": "-C 2c 2"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555d5"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-07-18 17:02:49"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-07-18 17:02:49"}, "task_ids": ["mp-1103107"], "deprecated_tasks": ["mp-1103107"], "task_id": "mp-1103107", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA Structure Optimization", "task_id": "mp-1103107", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-07-18 17:02:49"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA Structure Optimization", "task_id": "mp-1103107", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-07-18 17:02:49"}}, {"materials_key": "energy", "task_type": "GGA Structure Optimization", "task_id": "mp-1103107", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-07-18 17:02:49"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Structure Optimization", "task_id": "mp-1103107", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-07-18 17:02:49"}}, {"materials_key": "structure", "task_type": "GGA Structure Optimization", "task_id": "mp-1103107", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-07-18 17:02:49"}}], "task_types": {"mp-1103107": "GGA Structure Optimization"}, "invalid_props": ["bandstructure.band_gap", "bandstructure.cbm", "bandstructure.efermi", "bandstructure.is_gap_direct", "bandstructure.is_metal", "bandstructure.vbm", "energy", "energy_per_atom", "entries.gga.composition", "entries.gga.energy", "entries.gga.parameters.potcar_spec", "entries.gga.parameters.run_type", "entries.gga.parameters.task_id", "initial_structures", "inputs.structure_optimization", "magnetism.total_magnetization", "structure"], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "cbm": null, "efermi": -0.22380855, "is_gap_direct": false, "is_metal": true, "vbm": null}, "energy": -22.19436415, "energy_per_atom": -1.8495303458333332, "entries": {"gga": {"composition": {"Li": 12.0}, "energy": -22.19436415, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1103107"}, "entry_id": "mp-1103107"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.223204, 4.206609, 0.0], [-7.223204, 4.206609, 0.0], [0.0, 0.0, 8.394973]], "a": 8.358841744195006, "b": 8.358841744195006, "c": 8.394973, "alpha": 90.0, "beta": 90.0, "gamma": 119.56914825605547, "volume": 510.1657824978849}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.834, 0.834, 0.569], "xyz": [0.0, 7.016623812, 4.7767396369999995], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.166, 0.166, 0.431], "xyz": [0.0, 1.3965941880000001, 3.618233363], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666, 0.666, 0.069], "xyz": [0.0, 5.603203188000001, 0.579253137], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.334, 0.334, 0.931], "xyz": [0.0, 2.8100148120000004, 7.815719863000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.778, 0.44, 0.648], "xyz": [2.4414429519999996, 5.123649762, 5.439942504], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.56, 0.222, 0.352], "xyz": [2.441442952, 3.2895682380000006, 2.955030496], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.06, 0.722, 0.148], "xyz": [-4.781761048, 3.289568238, 1.242456004], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.278, 0.94, 0.852], "xyz": [-4.781761047999999, 5.123649762, 7.152516996], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222, 0.56, 0.352], "xyz": [-2.441442952, 3.2895682380000006, 2.955030496], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.44, 0.778, 0.648], "xyz": [-2.4414429519999996, 5.123649762, 5.439942504], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.94, 0.278, 0.852], "xyz": [4.781761047999999, 5.123649762, 7.152516996], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.722, 0.06, 0.148], "xyz": [4.781761048, 3.289568238, 1.242456004], "label": "Li", "properties": {}}]}], "inputs": {"structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.223204, 4.206609, 0.0], [-7.223204, 4.206609, -0.0], [-0.0, -0.0, 8.394973]], "a": 8.358841744195006, "b": 8.358841744195006, "c": 8.394973, "alpha": 90.0, "beta": 90.0, "gamma": 119.56914825605547, "volume": 510.1657824978849}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.834, 0.834, 0.569], "xyz": [0.0, 7.016623812, 4.7767396369999995], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.166, 0.166, 0.431], "xyz": [0.0, 1.3965941880000001, 3.618233363], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666, 0.666, 0.069], "xyz": [0.0, 5.603203188000001, 0.579253137], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.334, 0.334, 0.931], "xyz": [0.0, 2.8100148120000004, 7.815719863000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.778, 0.44, 0.648], "xyz": [2.4414429519999996, 5.123649762, 5.439942504], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.56, 0.222, 0.352], "xyz": [2.441442952, 3.2895682380000006, 2.955030496], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.06, 0.722, 0.148], "xyz": [-4.781761048, 3.289568238, 1.242456004], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.278, 0.94, 0.852], "xyz": [-4.781761047999999, 5.123649762, 7.152516996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222, 0.56, 0.352], "xyz": [-2.441442952, 3.2895682380000006, 2.955030496], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.44, 0.778, 0.648], "xyz": [-2.4414429519999996, 5.123649762, 5.439942504], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.94, 0.278, 0.852], "xyz": [4.781761047999999, 5.123649762, 7.152516996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.722, 0.06, 0.148], "xyz": [4.781761048, 3.289568238, 1.242456004], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li12"}, "incar": {"ALGO": "Fast", "EDIFF": 0.0006000000000000001, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "KPAR": 8, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[3, 3, 3]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}}, "magnetism": {"total_magnetization": 0.0181638}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.04661722, 2.78767827, 0.0], [-8.04661722, 2.78767827, 0.0], [0.0, 0.0, 5.40685931]], "a": 8.515820501996899, "b": 8.515820501996899, "c": 5.40685931, "alpha": 90.0, "beta": 90.0, "gamma": 141.78363216870665, "volume": 242.56663126688002}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.75595322, 0.75595322, 0.59780879], "xyz": [0.0, 4.2147087290610585, 3.2322680218113344], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.24404678, 0.24404678, 0.40219121], "xyz": [0.0, 1.360647810938941, 2.1745912881886653], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.74404678, 0.74404678, 0.09780879], "xyz": [0.0, 4.148326080938941, 0.5288383668113349], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.25595322, 0.25595322, 0.90219121], "xyz": [0.0, 1.4270304590610585, 4.878020943188665], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.7819587, 0.45482133, 0.75387145], "xyz": [2.6323491947475115, 3.4477448144009477, 4.076076867975699], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.54517867, 0.2180413, 0.24612855], "xyz": [2.632349194747511, 2.127611725599052, 1.3307824420243004], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.04517867, 0.7180413, 0.25387145], "xyz": [-5.414268025252489, 2.127611725599052, 1.3726472129756995], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.2819587, 0.95482133, 0.74612855], "xyz": [-5.414268025252489, 3.4477448144009477, 4.034212097024301], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.2180413, 0.54517867, 0.24612855], "xyz": [-2.632349194747511, 2.127611725599052, 1.3307824420243004], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.45482133, 0.7819587, 0.75387145], "xyz": [-2.6323491947475115, 3.4477448144009477, 4.076076867975699], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.95482133, 0.2819587, 0.74612855], "xyz": [5.414268025252489, 3.4477448144009477, 4.034212097024301], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.7180413, 0.04517867, 0.25387145], "xyz": [5.414268025252489, 2.127611725599052, 1.3726472129756995], "label": "Li", "properties": {"magmom": 0.0}}]}, "nsites": 12, "elements": ["Li"], "nelements": 1, "composition": {"Li": 12.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 242.56663126688002, "density": 0.5701922683978203, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Cmce", "number": 64, "point_group": "mmm", "crystal_system": "orthorhombic", "hall": "-C 2bc 2"}, "deprecated": true, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed054283f7551cd85263d84"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2019-07-02 00:35:21.369000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2019-07-02 00:35:21.369000"}, "task_ids": ["mp-1245108"], "deprecated_tasks": [], "task_id": "mp-1245108", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA Structure Optimization", "task_id": "mp-1245108", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2019-07-02 00:35:21.369000"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA Structure Optimization", "task_id": "mp-1245108", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2019-07-02 00:35:21.369000"}}, {"materials_key": "energy", "task_type": "GGA Structure Optimization", "task_id": "mp-1245108", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2019-07-02 00:35:21.369000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Structure Optimization", "task_id": "mp-1245108", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2019-07-02 00:35:21.369000"}}, {"materials_key": "structure", "task_type": "GGA Structure Optimization", "task_id": "mp-1245108", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2019-07-02 00:35:21.369000"}}], "task_types": {"mp-1245108": "GGA Structure Optimization"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "cbm": null, "efermi": 5.29944535, "is_gap_direct": false, "is_metal": true, "vbm": null}, "energy": -819.50181764, "energy_per_atom": -8.1950181764, "entries": {"gga": {"composition": {"Fe": 100.0}, "energy": -819.50181764, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "run_type": "GGA", "task_id": "mp-1245108"}, "entry_id": "mp-1245108"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[10.418942, 0.0, 0.0], [0.0, 10.418942, 0.0], [0.0, 0.0, 10.418942]], "a": 10.418942, "b": 10.418942, "c": 10.418942, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 1131.0215014965343}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499345, 0.391592, 0.615822], "xyz": [5.20264659299, 4.079974335664, 6.416213700324], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.841459, 0.20932, 0.377784], "xyz": [8.767112516377999, 2.18089293944, 3.936109584528], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.853008, 0.832151, 0.765807], "xyz": [8.887440877536, 8.670133004241999, 7.978898716194], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.189219, 0.648289, 0.971818], "xyz": [1.971461786298, 6.754485490237999, 10.125315376556], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.818649, 0.184241, 0.555797], "xyz": [8.529456449358, 1.9195962930219999, 5.790816706774], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.714861, 0.73673, 0.149931], "xyz": [7.448095297061999, 7.67594713966, 1.562122393002], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.367006, 0.475333, 0.770352], "xyz": [3.823814227652, 4.952466957686, 8.026252807584], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.004978, 0.463106, 0.7489], "xyz": [0.05186549327599999, 4.825074553852, 7.8027456638], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.961977, 0.347469, 0.515645], "xyz": [10.022782568334, 3.6202593577979996, 5.37247534759], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.04034, 0.287661, 0.950437], "xyz": [0.42030012027999997, 2.997123274662, 9.902547977653999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.195573, 0.419078, 0.941429], "xyz": [2.0376637437659997, 4.366349375476, 9.808694148117999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.171949, 0.168294, 0.098398], "xyz": [1.7915266579579998, 1.7534454249479998, 1.0252030549159998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.889199, 0.246482, 0.756628], "xyz": [9.264512807457999, 2.568081662044, 7.883263247575999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.045532, 0.061225, 0.891246], "xyz": [0.474395267144, 0.6378997239499999, 9.285840381732], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.18432, 0.620993, 0.267249], "xyz": [1.9204193894400001, 6.470090049406, 2.784451830558], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.445681, 0.519688, 0.960391], "xyz": [4.643524489502, 5.414599130096001, 10.006258126321999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.420824, 0.203976, 0.493943], "xyz": [4.384540848207999, 2.125214113392, 5.146363468306], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.071063, 0.836637, 0.825723], "xyz": [0.740401275346, 8.716872378054, 8.603160045066], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.814193, 0.195776, 0.96825], "xyz": [8.483029643805999, 2.039778788992, 10.0881405915], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.522161, 0.000335, 0.175135], "xyz": [5.440365173661999, 0.00349034557, 1.82472140717], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.576705, 0.640418, 0.507414], "xyz": [6.00865594611, 6.672477997756, 5.2867170359880005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.406338, 0.953426, 0.591703], "xyz": [4.233612054396, 9.933690195292, 6.164919238225999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.310031, 0.493526, 0.119198], "xyz": [3.230195007202, 5.142018769492, 1.2419170485159998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.483631, 0.197564, 0.236633], "xyz": [5.038923338401999, 2.0584078572879996, 2.465465502286], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.217943, 0.962226, 0.473208], "xyz": [2.2707354763059997, 10.025376884892, 4.930326705936], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.668639, 0.048889, 0.855834], "xyz": [6.966510959938, 0.509371655438, 8.916884807628], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.372682, 0.7667, 0.479122], "xyz": [3.882952142444, 7.9882028314, 4.991944328923999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.684858, 0.309528, 0.439328], "xyz": [7.135495780235999, 3.224954279376, 4.5773329509759995], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.861152, 0.037944, 0.805134], "xyz": [8.972292741183999, 0.395336335248, 8.388644448228], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.910805, 0.868214, 0.191695], "xyz": [9.48962446831, 9.045871309588, 1.99725908669], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.931585, 0.082989, 0.116415], "xyz": [9.706130083069999, 0.8646575776379999, 1.21292113293], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.299349, 0.330168, 0.324367], "xyz": [3.1188998687579996, 3.440001242256, 3.379560959714], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.032501, 0.218219, 0.287515], "xyz": [0.338626033942, 2.273611104298, 2.99560210913], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.490468, 0.295177, 0.870196], "xyz": [5.110157644856, 3.075432042734, 9.066521652632], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.263641, 0.845645, 0.304516], "xyz": [2.746860287822, 8.81072620759, 3.172734542072], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.713908, 0.906537, 0.290483], "xyz": [7.438166045336, 9.445156423854, 3.026525528986], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.309884, 0.402584, 0.52852], "xyz": [3.2286634227279998, 4.194499346128, 5.50661922584], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.824892, 0.340062, 0.130267], "xyz": [8.594501904264, 3.5430862544039994, 1.3572443175139999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.693341, 0.403157, 0.259684], "xyz": [7.223879665221999, 4.200469399894, 2.705632534328], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.910928, 0.575318, 0.517025], "xyz": [9.490905998175998, 5.994204873556, 5.386853487549999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.072738, 0.775813, 0.384242], "xyz": [0.7578530031959999, 8.083150649845999, 4.003395111963999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.236567, 0.945258, 0.954747], "xyz": [2.464777852114, 9.848588277036, 9.947453617674], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.424798, 0.000387, 0.365814], "xyz": [4.425945723716, 0.004032130554, 3.8113948487879994], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.563929, 0.867214, 0.716323], "xyz": [5.875543543118, 9.035452367588, 7.463327790266], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.025682, 0.103593, 0.591814], "xyz": [0.267579268444, 1.079329458606, 6.166075740787999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.487284, 0.597698, 0.210394], "xyz": [5.0769837335279995, 6.227380795515999, 2.1920828831479997], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.942856, 0.663766, 0.909205], "xyz": [9.823561978352, 6.915739455571999, 9.47295416111], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.906275, 0.896103, 0.988502], "xyz": [9.44242666105, 9.336445183026, 10.299145004884], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.367506, 0.627489, 0.339898], "xyz": [3.8290236986519997, 6.537771496637999, 3.5413775479159995], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.632796, 0.456229, 0.811443], "xyz": [6.593064821832, 4.753423489718, 8.454377553306], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.368658, 0.236772, 0.073812], "xyz": [3.8410263198359997, 2.466913735224, 0.769042946904], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.269842, 0.134232, 0.312741], "xyz": [2.811468147164, 1.3985554225439998, 3.2584303400219996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.638401, 0.222596, 0.74822], "xyz": [6.651462991742, 2.3192148134319996, 7.79566078324], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.852923, 0.443344, 0.882391], "xyz": [8.886555267465999, 4.619175422048, 9.193580650322], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.658441, 0.410244, 0.005786], "xyz": [6.860258589422, 4.2743084418479995, 0.060283998412], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.156825, 0.623118, 0.78999], "xyz": [1.6339505791499997, 6.492230301155999, 8.230859990579999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980746, 0.456676, 0.301341], "xyz": [10.218335690732, 4.758080756792, 3.1396544012220002], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.15291, 0.471055, 0.396979], "xyz": [1.59316042122, 4.90789472381, 4.136101176218], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.083607, 0.984969, 0.255285], "xyz": [0.871096483794, 10.262334882798, 2.6597996084699997], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.797905, 0.398047, 0.674002], "xyz": [8.31332591651, 4.147228606274, 7.022387745883999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.657832, 0.625893, 0.906893], "xyz": [6.853913453743999, 6.521142865206, 9.448865567206], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.516418, 0.783768, 0.314532], "xyz": [5.380529189756, 8.166033333456, 3.2770906651439997], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.726486, 0.828749, 0.940841], "xyz": [7.569215497811999, 8.634687763557999, 9.802567810222], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.667991, 0.156163, 0.209866], "xyz": [6.9597594855219995, 1.6270532395459998, 2.186581681772], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.312344, 0.735875, 0.093494], "xyz": [3.254294020048, 7.667038944249999, 0.9741085633479999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.03377, 0.512382, 0.02651], "xyz": [0.35184767134, 5.338478339843999, 0.27620615241999996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.707165, 0.695103, 0.353513], "xyz": [7.36791111943, 7.242237841026, 3.683231443246], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.373201, 0.588598, 0.589948], "xyz": [3.888359573342, 6.132568423315999, 6.146633995016], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.50152, 0.438318, 0.368835], "xyz": [5.22530779184, 4.566809819555999, 3.84287047257], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.610422, 0.879753, 0.521583], "xyz": [6.359951413524, 9.166095481326, 5.434343025186], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.67277, 0.062338, 0.421491], "xyz": [7.009551609339999, 0.6494960063959999, 4.391490282522], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.998198, 0.661746, 0.675735], "xyz": [10.400167066516, 6.894693192731999, 7.04044377237], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.844096, 0.77205, 0.526766], "xyz": [8.794587266432, 8.0439441711, 5.488344401571999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.336051, 0.79337, 0.812004], "xyz": [3.501295878042, 8.26607601454, 8.460222579767999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.575371, 0.120263, 0.584376], "xyz": [5.994757077481999, 1.253013221746, 6.088579650192], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.213877, 0.798182, 0.649441], "xyz": [2.228372058134, 8.316211963444, 6.766488111422], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.713453, 0.973897, 0.084082], "xyz": [7.433425426726, 10.146976356974, 0.876045481244], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.497083, 0.760575, 0.018239], "xyz": [5.179078946185999, 7.92438681165, 0.19003108313799996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.734046, 0.624196, 0.682444], "xyz": [7.647982699331999, 6.503461920632, 7.1103444542480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.120271, 0.287586, 0.751941], "xyz": [1.2530965732819999, 2.996341854012, 7.8344296664219994], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.31769, 0.975877, 0.154682], "xyz": [3.3099936839799997, 10.167605862134, 1.6116227864439998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.175544, 0.225124, 0.495728], "xyz": [1.828982754448, 2.345553898808, 5.164961279776], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.941582, 0.997719, 0.427704], "xyz": [9.810288246244, 10.395176393298, 4.456223169167999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.513793, 0.390789, 0.126421], "xyz": [5.353179467006, 4.071607925238, 1.317173066582], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.219288, 0.007004, 0.699835], "xyz": [2.284748953296, 0.07297426976799999, 7.291540274569999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.449107, 0.943926, 0.959062], "xyz": [4.679219784793999, 9.834710246292, 9.992411352404], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.787358, 0.955914, 0.58774], "xyz": [8.203437335236, 9.959612522988, 6.1236289710800005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.926767, 0.657489, 0.204872], "xyz": [9.655931620514, 6.850339756637999, 2.134549485424], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.557315, 0.150475, 0.015294], "xyz": [5.80663266073, 1.56779029745, 0.15934729894799998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.154535, 0.665086, 0.483534], "xyz": [1.61009120197, 6.929492459011999, 5.037912701028], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.086056, 0.800866, 0.102415], "xyz": [0.8966124727519998, 8.344176403772, 1.06705594493], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.320663, 0.269492, 0.71238], "xyz": [3.3409691985459995, 2.8078215174639998, 7.422245901959999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.719525, 0.506887, 0.467741], "xyz": [7.49668924255, 5.281226253553999, 4.873366350022], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.245844, 0.168924, 0.897932], "xyz": [2.561434377048, 1.7600093584079999, 9.355501427943999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.433071, 0.098619, 0.797717], "xyz": [4.512141630882, 1.027505641098, 8.311367155414], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.125821, 0.446662, 0.610415], "xyz": [1.3109217013819998, 4.653745471604, 6.35987848093], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.129104, 0.351634, 0.17168], "xyz": [1.345127087968, 3.663654251228, 1.78872396256], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.825634, 0.559775, 0.073717], "xyz": [8.602232759227999, 5.83226325805, 0.768053147414], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.504989, 0.637893, 0.776952], "xyz": [5.261451101638, 6.646170169206, 8.095017824784], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.033542, 0.88931, 0.628246], "xyz": [0.349472152564, 9.26566931002, 6.545658635731999], "label": "Fe", "properties": {}}]}], "inputs": {"structure_optimization": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[10.418942, 0.0, 0.0], [0.0, 10.418942, 0.0], [0.0, 0.0, 10.418942]], "a": 10.418942, "b": 10.418942, "c": 10.418942, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 1131.0215014965343}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499345, 0.391592, 0.615822], "xyz": [5.20264659299, 4.079974335664, 6.416213700324], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.841459, 0.20932, 0.377784], "xyz": [8.767112516377999, 2.18089293944, 3.936109584528], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.853008, 0.832151, 0.765807], "xyz": [8.887440877536, 8.670133004241999, 7.978898716194], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.189219, 0.648289, 0.971818], "xyz": [1.971461786298, 6.754485490237999, 10.125315376556], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.818649, 0.184241, 0.555797], "xyz": [8.529456449358, 1.9195962930219999, 5.790816706774], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.714861, 0.73673, 0.149931], "xyz": [7.448095297061999, 7.67594713966, 1.562122393002], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.367006, 0.475333, 0.770352], "xyz": [3.823814227652, 4.952466957686, 8.026252807584], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.004978, 0.463106, 0.7489], "xyz": [0.05186549327599999, 4.825074553852, 7.8027456638], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.961977, 0.347469, 0.515645], "xyz": [10.022782568334, 3.6202593577979996, 5.37247534759], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.04034, 0.287661, 0.950437], "xyz": [0.42030012027999997, 2.997123274662, 9.902547977653999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.195573, 0.419078, 0.941429], "xyz": [2.0376637437659997, 4.366349375476, 9.808694148117999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.171949, 0.168294, 0.098398], "xyz": [1.7915266579579998, 1.7534454249479998, 1.0252030549159998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.889199, 0.246482, 0.756628], "xyz": [9.264512807457999, 2.568081662044, 7.883263247575999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.045532, 0.061225, 0.891246], "xyz": [0.474395267144, 0.6378997239499999, 9.285840381732], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.18432, 0.620993, 0.267249], "xyz": [1.9204193894400001, 6.470090049406, 2.784451830558], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.445681, 0.519688, 0.960391], "xyz": [4.643524489502, 5.414599130096001, 10.006258126321999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.420824, 0.203976, 0.493943], "xyz": [4.384540848207999, 2.125214113392, 5.146363468306], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.071063, 0.836637, 0.825723], "xyz": [0.740401275346, 8.716872378054, 8.603160045066], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.814193, 0.195776, 0.96825], "xyz": [8.483029643805999, 2.039778788992, 10.0881405915], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.522161, 0.000335, 0.175135], "xyz": [5.440365173661999, 0.00349034557, 1.82472140717], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.576705, 0.640418, 0.507414], "xyz": [6.00865594611, 6.672477997756, 5.2867170359880005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.406338, 0.953426, 0.591703], "xyz": [4.233612054396, 9.933690195292, 6.164919238225999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.310031, 0.493526, 0.119198], "xyz": [3.230195007202, 5.142018769492, 1.2419170485159998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.483631, 0.197564, 0.236633], "xyz": [5.038923338401999, 2.0584078572879996, 2.465465502286], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.217943, 0.962226, 0.473208], "xyz": [2.2707354763059997, 10.025376884892, 4.930326705936], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.668639, 0.048889, 0.855834], "xyz": [6.966510959938, 0.509371655438, 8.916884807628], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.372682, 0.7667, 0.479122], "xyz": [3.882952142444, 7.9882028314, 4.991944328923999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.684858, 0.309528, 0.439328], "xyz": [7.135495780235999, 3.224954279376, 4.5773329509759995], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.861152, 0.037944, 0.805134], "xyz": [8.972292741183999, 0.395336335248, 8.388644448228], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.910805, 0.868214, 0.191695], "xyz": [9.48962446831, 9.045871309588, 1.99725908669], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.931585, 0.082989, 0.116415], "xyz": [9.706130083069999, 0.8646575776379999, 1.21292113293], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.299349, 0.330168, 0.324367], "xyz": [3.1188998687579996, 3.440001242256, 3.379560959714], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.032501, 0.218219, 0.287515], "xyz": [0.338626033942, 2.273611104298, 2.99560210913], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.490468, 0.295177, 0.870196], "xyz": [5.110157644856, 3.075432042734, 9.066521652632], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.263641, 0.845645, 0.304516], "xyz": [2.746860287822, 8.81072620759, 3.172734542072], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.713908, 0.906537, 0.290483], "xyz": [7.438166045336, 9.445156423854, 3.026525528986], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.309884, 0.402584, 0.52852], "xyz": [3.2286634227279998, 4.194499346128, 5.50661922584], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.824892, 0.340062, 0.130267], "xyz": [8.594501904264, 3.5430862544039994, 1.3572443175139999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.693341, 0.403157, 0.259684], "xyz": [7.223879665221999, 4.200469399894, 2.705632534328], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.910928, 0.575318, 0.517025], "xyz": [9.490905998175998, 5.994204873556, 5.386853487549999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.072738, 0.775813, 0.384242], "xyz": [0.7578530031959999, 8.083150649845999, 4.003395111963999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.236567, 0.945258, 0.954747], "xyz": [2.464777852114, 9.848588277036, 9.947453617674], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.424798, 0.000387, 0.365814], "xyz": [4.425945723716, 0.004032130554, 3.8113948487879994], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.563929, 0.867214, 0.716323], "xyz": [5.875543543118, 9.035452367588, 7.463327790266], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.025682, 0.103593, 0.591814], "xyz": [0.267579268444, 1.079329458606, 6.166075740787999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.487284, 0.597698, 0.210394], "xyz": [5.0769837335279995, 6.227380795515999, 2.1920828831479997], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.942856, 0.663766, 0.909205], "xyz": [9.823561978352, 6.915739455571999, 9.47295416111], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.906275, 0.896103, 0.988502], "xyz": [9.44242666105, 9.336445183026, 10.299145004884], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.367506, 0.627489, 0.339898], "xyz": [3.8290236986519997, 6.537771496637999, 3.5413775479159995], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.632796, 0.456229, 0.811443], "xyz": [6.593064821832, 4.753423489718, 8.454377553306], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.368658, 0.236772, 0.073812], "xyz": [3.8410263198359997, 2.466913735224, 0.769042946904], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.269842, 0.134232, 0.312741], "xyz": [2.811468147164, 1.3985554225439998, 3.2584303400219996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.638401, 0.222596, 0.74822], "xyz": [6.651462991742, 2.3192148134319996, 7.79566078324], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.852923, 0.443344, 0.882391], "xyz": [8.886555267465999, 4.619175422048, 9.193580650322], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.658441, 0.410244, 0.005786], "xyz": [6.860258589422, 4.2743084418479995, 0.060283998412], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.156825, 0.623118, 0.78999], "xyz": [1.6339505791499997, 6.492230301155999, 8.230859990579999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980746, 0.456676, 0.301341], "xyz": [10.218335690732, 4.758080756792, 3.1396544012220002], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.15291, 0.471055, 0.396979], "xyz": [1.59316042122, 4.90789472381, 4.136101176218], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.083607, 0.984969, 0.255285], "xyz": [0.871096483794, 10.262334882798, 2.6597996084699997], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.797905, 0.398047, 0.674002], "xyz": [8.31332591651, 4.147228606274, 7.022387745883999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.657832, 0.625893, 0.906893], "xyz": [6.853913453743999, 6.521142865206, 9.448865567206], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.516418, 0.783768, 0.314532], "xyz": [5.380529189756, 8.166033333456, 3.2770906651439997], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.726486, 0.828749, 0.940841], "xyz": [7.569215497811999, 8.634687763557999, 9.802567810222], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.667991, 0.156163, 0.209866], "xyz": [6.9597594855219995, 1.6270532395459998, 2.186581681772], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.312344, 0.735875, 0.093494], "xyz": [3.254294020048, 7.667038944249999, 0.9741085633479999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.03377, 0.512382, 0.02651], "xyz": [0.35184767134, 5.338478339843999, 0.27620615241999996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.707165, 0.695103, 0.353513], "xyz": [7.36791111943, 7.242237841026, 3.683231443246], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.373201, 0.588598, 0.589948], "xyz": [3.888359573342, 6.132568423315999, 6.146633995016], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.50152, 0.438318, 0.368835], "xyz": [5.22530779184, 4.566809819555999, 3.84287047257], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.610422, 0.879753, 0.521583], "xyz": [6.359951413524, 9.166095481326, 5.434343025186], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.67277, 0.062338, 0.421491], "xyz": [7.009551609339999, 0.6494960063959999, 4.391490282522], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.998198, 0.661746, 0.675735], "xyz": [10.400167066516, 6.894693192731999, 7.04044377237], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.844096, 0.77205, 0.526766], "xyz": [8.794587266432, 8.0439441711, 5.488344401571999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.336051, 0.79337, 0.812004], "xyz": [3.501295878042, 8.26607601454, 8.460222579767999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.575371, 0.120263, 0.584376], "xyz": [5.994757077481999, 1.253013221746, 6.088579650192], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.213877, 0.798182, 0.649441], "xyz": [2.228372058134, 8.316211963444, 6.766488111422], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.713453, 0.973897, 0.084082], "xyz": [7.433425426726, 10.146976356974, 0.876045481244], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.497083, 0.760575, 0.018239], "xyz": [5.179078946185999, 7.92438681165, 0.19003108313799996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.734046, 0.624196, 0.682444], "xyz": [7.647982699331999, 6.503461920632, 7.1103444542480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.120271, 0.287586, 0.751941], "xyz": [1.2530965732819999, 2.996341854012, 7.8344296664219994], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.31769, 0.975877, 0.154682], "xyz": [3.3099936839799997, 10.167605862134, 1.6116227864439998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.175544, 0.225124, 0.495728], "xyz": [1.828982754448, 2.345553898808, 5.164961279776], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.941582, 0.997719, 0.427704], "xyz": [9.810288246244, 10.395176393298, 4.456223169167999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.513793, 0.390789, 0.126421], "xyz": [5.353179467006, 4.071607925238, 1.317173066582], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.219288, 0.007004, 0.699835], "xyz": [2.284748953296, 0.07297426976799999, 7.291540274569999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.449107, 0.943926, 0.959062], "xyz": [4.679219784793999, 9.834710246292, 9.992411352404], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.787358, 0.955914, 0.58774], "xyz": [8.203437335236, 9.959612522988, 6.1236289710800005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.926767, 0.657489, 0.204872], "xyz": [9.655931620514, 6.850339756637999, 2.134549485424], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.557315, 0.150475, 0.015294], "xyz": [5.80663266073, 1.56779029745, 0.15934729894799998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.154535, 0.665086, 0.483534], "xyz": [1.61009120197, 6.929492459011999, 5.037912701028], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.086056, 0.800866, 0.102415], "xyz": [0.8966124727519998, 8.344176403772, 1.06705594493], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.320663, 0.269492, 0.71238], "xyz": [3.3409691985459995, 2.8078215174639998, 7.422245901959999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.719525, 0.506887, 0.467741], "xyz": [7.49668924255, 5.281226253553999, 4.873366350022], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.245844, 0.168924, 0.897932], "xyz": [2.561434377048, 1.7600093584079999, 9.355501427943999], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.433071, 0.098619, 0.797717], "xyz": [4.512141630882, 1.027505641098, 8.311367155414], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.125821, 0.446662, 0.610415], "xyz": [1.3109217013819998, 4.653745471604, 6.35987848093], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.129104, 0.351634, 0.17168], "xyz": [1.345127087968, 3.663654251228, 1.78872396256], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.825634, 0.559775, 0.073717], "xyz": [8.602232759227999, 5.83226325805, 0.768053147414], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.504989, 0.637893, 0.776952], "xyz": [5.261451101638, 6.646170169206, 8.095017824784], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.033542, 0.88931, 0.628246], "xyz": [0.349472152564, 9.26566931002, 6.545658635731999], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe100"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[2, 2, 2]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "incar": {"ALGO": "Fast", "EDIFF": 0.005, "ENCUT": 520, "IBRION": 2, "ICHARG": 1, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LORBIT": 11, "LREAL": "Auto", "LWAVE": false, "MAGMOM": [5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5], "NELM": 100, "NSW": 99, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}}}, "magnetism": {"total_magnetization": 103.661098}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[10.4056379, 0.04755501, -0.11023809], [0.04412502, 10.70698355, 0.18323007], [-0.10748271, 0.18942447, 10.45372173]], "a": 10.406330478193519, "b": 10.708642164901805, "c": 10.455990253010851, "alpha": 87.98403488579646, "beta": 91.19110069587722, "gamma": 89.51251696493549, "volume": 1164.168615545698}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.56778127, 0.46128621, 0.60394977], "xyz": [5.86356640728063, 5.08038757137338, 6.3354532162832635], "label": "Fe", "properties": {"magmom": 0.593}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.82153601, 0.24746745, 0.37245162], "xyz": [8.519493638589887, 2.759249520200499, 3.848284510945303], "label": "Fe", "properties": {"magmom": -1.585}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.85259786, 0.82222681, 0.73812013], "xyz": [8.82877022803273, 8.983932243218835, 7.772770358659114], "label": "Fe", "properties": {"magmom": 1.959}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.16926847, 0.65513552, 0.96052132], "xyz": [1.6870148401433462, 7.204521041408931, 10.142403289371346], "label": "Fe", "properties": {"magmom": 2.35}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.78493033, 0.19260364, 0.58304227], "xyz": [8.113532466950428, 2.2099738478249225, 6.043723205484712], "label": "Fe", "properties": {"magmom": -1.542}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.70178012, 0.76745159, 0.12192126], "xyz": [7.323229203464915, 8.273559580232979, 1.3377882335395201], "label": "Fe", "properties": {"magmom": 2.408}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.3893358, 0.44786315, 0.73752833], "xyz": [3.9917777831476586, 4.953484160583775, 7.749058291175909], "label": "Fe", "properties": {"magmom": 1.159}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0058426, 0.48084011, 0.77683774], "xyz": [-0.001483566060383204, 5.295777070027114, 8.208305853271565], "label": "Fe", "properties": {"magmom": 2.608}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.97047448, 0.35032179, 0.54487759], "xyz": [10.05529906606951, 3.900253715038327, 5.653204935808313], "label": "Fe", "properties": {"magmom": 2.507}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.03503749, 0.28587103, 0.96187171], "xyz": [0.2738169207179075, 3.244684662693625, 10.103656899161136], "label": "Fe", "properties": {"magmom": 2.482}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.21326265, 0.4222995, 0.89679189], "xyz": [2.1413782647347035, 4.70156983559015, 9.428681167522397], "label": "Fe", "properties": {"magmom": 2.516}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.14644103, 0.10020345, 0.08512037], "xyz": [1.5190848430745534, 1.0959645764227617, 0.8920415672475489], "label": "Fe", "properties": {"magmom": 1.954}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.90545913, 0.24866143, 0.7670635], "xyz": [9.35040596687892, 2.8507735554550626, 7.964414544400793], "label": "Fe", "properties": {"magmom": 1.214}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.03331002, 0.07199742, 0.87340971], "xyz": [0.25591245158809234, 0.937904421326245, 9.139902123943754], "label": "Fe", "properties": {"magmom": 2.424}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.12789245, 0.61885005, 0.23925805], "xyz": [1.3323931920737904, 6.677420561319836, 2.6004303949300094], "label": "Fe", "properties": {"magmom": 2.104}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.41099281, 0.54259885, 0.94683955], "xyz": [4.198815664702546, 6.008496308322183, 9.952110541547707], "label": "Fe", "properties": {"magmom": -2.002}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.41649282, 0.17178063, 0.48371331], "xyz": [4.289462479182371, 1.9506858372173603, 5.042166343721257], "label": "Fe", "properties": {"magmom": -1.208}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.08844815, 0.83229435, 0.82797661], "xyz": [0.868091256805109, 9.072407097387321, 8.798188076779805], "label": "Fe", "properties": {"magmom": 2.556}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.80561505, 0.17394592, 0.95957557], "xyz": [8.28747608157592, 2.0825142295607146, 9.974198646396696], "label": "Fe", "properties": {"magmom": 2.182}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.56757959, 0.9903, 0.21791707], "xyz": [5.926302383037601, 10.671395888131949, 2.396928258393348], "label": "Fe", "properties": {"magmom": 1.621}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5963534, 0.66005484, 0.50577714], "xyz": [6.180200176186708, 7.191362472561033, 5.342454513711285], "label": "Fe", "properties": {"magmom": 2.215}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.38912746, 0.97665315, 0.61712088], "xyz": [4.025884460903563, 10.592411966977192, 6.587265510375992], "label": "Fe", "properties": {"magmom": 2.164}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.27685752, 0.50018958, 0.1205827], "xyz": [2.889989422858183, 5.391528881112254, 1.3216675188018048], "label": "Fe", "properties": {"magmom": -1.678}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.5009824, 0.21005065, 0.27742118], "xyz": [5.192491957567426, 2.325383437246906, 2.8833440701316704], "label": "Fe", "properties": {"magmom": -1.978}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.18619084, 0.00516092, 0.47548342], "xyz": [1.886555940493386, 0.1541803876282618, 4.950991673064485], "label": "Fe", "properties": {"magmom": 2.342}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.64508593, 0.03383418, 0.87341768], "xyz": [6.620146236625618, 0.5583857576623779, 9.065551779142904], "label": "Fe", "properties": {"magmom": -1.109}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.38754891, 0.78546551, 0.4838197], "xyz": [4.015350054830362, 8.520043477200959, 5.158914760051984], "label": "Fe", "properties": {"magmom": 1.789}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.60350712, 0.28685953, 0.47777401], "xyz": [6.241181797927921, 3.190602144621427, 4.980548369918104], "label": "Fe", "properties": {"magmom": -2.015}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.82295864, 0.04289083, 0.76104906], "xyz": [8.483502557836271, 0.6425285324451311, 7.872932597278735], "label": "Fe", "properties": {"magmom": -1.655}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.90751227, 0.90223961, 0.20019769], "xyz": [9.461537622006135, 9.741343758826863, 2.158085949849512], "label": "Fe", "properties": {"magmom": 0.988}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.93477989, 0.11436697, 0.14877836], "xyz": [9.716036395058264, 1.2971609954605616, 1.4731946931605406], "label": "Fe", "properties": {"magmom": 2.183}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.33292957, 0.35760785, 0.29661139], "xyz": [3.4482434091420435, 3.9009192916782265, 3.1295159244952324], "label": "Fe", "properties": {"magmom": 0.072}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.04286767, 0.20933548, 0.35202305], "xyz": [0.4174659924819371, 2.310071892940914, 3.7135819118362097], "label": "Fe", "properties": {"magmom": 2.246}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.44655343, 0.31406129, 0.90841697], "xyz": [4.562892138539884, 3.55596132163222, 9.504656494134599], "label": "Fe", "properties": {"magmom": 1.66}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.24748976, 0.81510968, 0.31096155], "xyz": [2.577832567350297, 8.79803904001659, 3.3727753177166], "label": "Fe", "properties": {"magmom": -1.73}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.73744253, 0.86760498, 0.33352068], "xyz": [7.675995319807044, 9.387678313689692, 3.5642094451461572], "label": "Fe", "properties": {"magmom": 2.174}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.37237979, 0.38702383, 0.5062703], "xyz": [3.837511386420755, 4.257466289159486, 5.322272803021986], "label": "Fe", "properties": {"magmom": -1.543}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.87458492, 0.32312124, 0.12556875], "xyz": [9.101375251956581, 3.5250304898693634, 1.2754537267840216], "label": "Fe", "properties": {"magmom": 1.851}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.68777908, 0.38985267, 0.24925706], "xyz": [7.147191494240502, 4.254068852125028, 2.6012772243705435], "label": "Fe", "properties": {"magmom": 1.251}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.96594342, 0.57416113, 0.46906114], "xyz": [10.026176369269201, 6.282320880799042, 4.902154458288884], "label": "Fe", "properties": {"magmom": 2.373}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.02564109, 0.81273487, 0.39788835], "xyz": [0.2599077221593299, 8.778528035710675, 4.305504932843268], "label": "Fe", "properties": {"magmom": -2.35}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.24549411, 0.95015661, 0.95767416], "xyz": [2.4935150806483772, 10.366392588240451, 10.15829363702011], "label": "Fe", "properties": {"magmom": 2.245}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.42054647, 0.98825802, 0.38512158], "xyz": [4.378267280742992, 10.674212906058948, 4.160672176111553], "label": "Fe", "properties": {"magmom": 1.509}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.57248298, 0.87262949, 0.72820602], "xyz": [5.917285831023867, 9.50839406790293, 7.70924562745487], "label": "Fe", "properties": {"magmom": 2.366}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.00620276, 0.12457691, 0.59551245], "xyz": [0.006033341221152705, 1.4469425286133097, 6.247463894575094], "label": "Fe", "properties": {"magmom": 2.139}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.53921596, 0.59642989, 0.14752768], "xyz": [5.62134683563932, 6.4395527939226, 1.5920550671593623], "label": "Fe", "properties": {"magmom": -2.106}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.91126216, 0.66794694, 0.92172269], "xyz": [9.412667988428614, 7.369628812024483, 9.657364678051865], "label": "Fe", "properties": {"magmom": 2.754}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.91387251, 0.90435811, 0.96648783], "xyz": [9.445450514364623, 9.909483068390067, 10.168356870046008], "label": "Fe", "properties": {"magmom": 2.312}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.35003625, 0.60314403, 0.32263297], "xyz": [3.6342867458095567, 6.5356137642065955, 3.444642084509658], "label": "Fe", "properties": {"magmom": -2.128}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.60179153, 0.45594576, 0.8203708], "xyz": [6.193967691457034, 5.0658202582327885, 8.59313068329311], "label": "Fe", "properties": {"magmom": -0.693}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.3224458, 0.24504043, 0.10124135], "xyz": [3.3551849563883205, 2.6581553554042188, 1.0677018664907436], "label": "Fe", "properties": {"magmom": 2.027}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.26086487, 0.14740578, 0.30357288], "xyz": [2.688340825216284, 1.648180825036791, 3.1717183386655887], "label": "Fe", "properties": {"magmom": 1.832}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.64341652, 0.24323063, 0.7856791], "xyz": [6.6214449635531105, 2.7836908804164793, 8.18690883759864], "label": "Fe", "properties": {"magmom": -2.271}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.83379857, 0.42603566, 0.90492991], "xyz": [8.59774051388916, 4.7726239712566265, 9.446031646296708], "label": "Fe", "properties": {"magmom": 2.251}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.65868325, 0.34763509, 0.02026255], "xyz": [6.867180921808617, 3.75728510136795, 0.20290427772037528], "label": "Fe", "properties": {"magmom": -1.789}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.24486147, 0.63019343, 0.74979556], "xyz": [2.495157031449564, 6.901144704543895, 7.926631464154567], "label": "Fe", "properties": {"magmom": 2.188}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.92932482, 0.4495226, 0.2933177], "xyz": [9.658526180831164, 4.912786684525696, 3.0461806786018095], "label": "Fe", "properties": {"magmom": 2.35}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.14879389, 0.43628785, 0.3863437], "xyz": [1.5260212833120113, 4.751585678552095, 4.10226783099698], "label": "Fe", "properties": {"magmom": 2.313}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.10057025, 0.9886019, 0.27044454], "xyz": [1.0610515715581097, 10.640955713697092, 2.997206887626165], "label": "Fe", "properties": {"magmom": -0.824}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.77286215, 0.39388574, 0.68142814], "xyz": [7.986262152513242, 4.383160770294035, 7.11043301901439], "label": "Fe", "properties": {"magmom": -1.086}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.67665554, 0.60417322, 0.93863195], "xyz": [6.966804982006346, 6.678850948515604, 9.84830669926248], "label": "Fe", "properties": {"magmom": 0.776}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.50808428, 0.78465791, 0.28020851], "xyz": [5.2914465163142586, 8.478559636259863, 3.0169844731070508], "label": "Fe", "properties": {"magmom": 2.532}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.71212739, 0.81914923, 0.90055609], "xyz": [7.349490526108612, 8.975069915811412, 9.485751974559896], "label": "Fe", "properties": {"magmom": 1.774}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.71232101, 0.17201543, 0.18951452], "xyz": [7.399375148717389, 1.911539499618241, 1.9341255475452288], "label": "Fe", "properties": {"magmom": 1.595}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.33347565, 0.73546048, 0.10644538], "xyz": [3.4910380328469652, 7.910585058596059, 1.2107471384792325], "label": "Fe", "properties": {"magmom": -2.321}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.02223021, 0.50625942, 0.05357186], "xyz": [0.2479001740411068, 5.431716261018808, 0.6503366500725782], "label": "Fe", "properties": {"magmom": 2.435}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.72035901, 0.62120023, 0.31206966], "xyz": [7.4896633958696555, 6.744550953738938, 3.296700946265937], "label": "Fe", "properties": {"magmom": 2.241}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.37592274, 0.590346, 0.565148], "xyz": [3.877021301281686, 6.445754780839788, 5.974628062325093], "label": "Fe", "properties": {"magmom": 1.14}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.52691665, 0.47891299, 0.36483779], "xyz": [5.464822154263435, 5.2218802373779525, 3.8435777088445873], "label": "Fe", "properties": {"magmom": -1.878}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.58667936, 0.88181487, 0.50307474], "xyz": [6.089611245951046, 9.564771516061873, 5.355903929620418], "label": "Fe", "properties": {"magmom": 1.746}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.65754464, 0.08089692, 0.40402294], "xyz": [6.802315524645427, 0.9739633648936541, 4.1658796704075325], "label": "Fe", "properties": {"magmom": -1.754}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.01708422, 0.68201973, 0.66110604], "xyz": [0.13680887257401425, 7.428416131379183, 7.03410176726959], "label": "Fe", "properties": {"magmom": 2.476}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.81111737, 0.73999009, 0.51596228], "xyz": [8.417388700029194, 8.059370296863536, 5.439898504651728], "label": "Fe", "properties": {"magmom": 2.365}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.34759055, 0.82282546, 0.81525805], "xyz": [3.565582446077539, 8.980938160856823, 8.634929441141958], "label": "Fe", "properties": {"magmom": 2.493}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.58162877, 0.08916994, 0.63288669], "xyz": [5.988128621664153, 1.1022846685314291, 6.56824231353502], "label": "Fe", "properties": {"magmom": 1.935}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.21343118, 0.81814242, 0.61967038], "xyz": [2.1903842745459405, 8.887367887702602, 6.60424176410028], "label": "Fe", "properties": {"magmom": 2.194}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.73213445, 0.98437142, 0.07659573], "xyz": [7.653528672775755, 10.588974367680748, 0.9003677879276117], "label": "Fe", "properties": {"magmom": 1.702}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.50743019, 0.7292203, 0.95926866], "xyz": [5.209206881795239, 8.013589561693928, 10.105604587610465], "label": "Fe", "properties": {"magmom": -0.86}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.76220886, 0.61418757, 0.70724965], "xyz": [7.882353331113244, 6.746313448672797, 7.421904217276646], "label": "Fe", "properties": {"magmom": 2.671}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.12402518, 0.268484, 0.73530001], "xyz": [1.223375937694175, 3.0198356047985966, 7.722143735764991], "label": "Fe", "properties": {"magmom": 2.175}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.33028451, 0.97178378, 0.17271696], "xyz": [3.461136906843343, 10.453296448400724, 1.9471851143868195], "label": "Fe", "properties": {"magmom": -2.106}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.19971812, 0.23548375, 0.52004602], "xyz": [2.0326892084128585, 2.629327676450203, 5.457547539783186], "label": "Fe", "properties": {"magmom": 2.081}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.90285938, 0.0284518, 0.39253444], "xyz": [9.353892553763005, 0.42192406966613066, 4.009129536917222], "label": "Fe", "properties": {"magmom": -1.954}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.48033033, 0.39461485, 0.13076302], "xyz": [5.001501110758671, 4.27274653694127, 1.3863148320946945], "label": "Fe", "properties": {"magmom": -1.378}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.19972436, 0.03224109, 0.72347713], "xyz": [2.0019207261548932, 0.4917469861084842, 7.546918900243739], "label": "Fe", "properties": {"magmom": 2.511}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.48959858, 0.92063572, 0.01150495], "xyz": [5.133972026187482, 9.88269369400642, 0.2349852809117517], "label": "Fe", "properties": {"magmom": 1.881}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.77944768, 0.96455464, 0.56616545], "xyz": [8.092358315981794, 10.471782896071609, 6.009346658148122], "label": "Fe", "properties": {"magmom": -1.01}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.91646079, 0.68759775, 0.21464448], "xyz": [9.543628824361706, 7.446339017162496, 2.2687933616154017], "label": "Fe", "properties": {"magmom": 2.347}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.53123431, 0.14772329, 0.03882403], "xyz": [5.530177251084543, 1.6142879102122867, 0.3743606991476343], "label": "Fe", "properties": {"magmom": 2.346}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.17856277, 0.65072697, 0.47606249], "xyz": [1.8356043810522247, 7.065992402499452, 5.076173126104987], "label": "Fe", "properties": {"magmom": 1.853}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.10159356, 0.82516894, 0.10686636], "xyz": [1.0820701083321673, 8.860144652916501, 1.257147472365328], "label": "Fe", "properties": {"magmom": 2.502}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.36410948, 0.23263663, 0.69436792], "xyz": [3.7244239550101113, 2.639682075730934, 7.2612163062922725], "label": "Fe", "properties": {"magmom": 2.262}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.75971236, 0.46776776, 0.46950853], "xyz": [7.875467938907283, 5.133446244873, 4.910071402374108], "label": "Fe", "properties": {"magmom": 2.081}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.25375275, 0.18020486, 0.90111261], "xyz": [2.55155675034285, 2.1122104647733972, 9.425026202953907], "label": "Fe", "properties": {"magmom": 2.123}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.43180575, 0.05937829, 0.83278393], "xyz": [4.406324472230891, 0.8140465555812041, 8.66896991253796], "label": "Fe", "properties": {"magmom": 2.023}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.17231101, 0.46056789, 0.61705909], "xyz": [1.7470053603775526, 5.0563731647738015, 6.515958667923107], "label": "Fe", "properties": {"magmom": 2.412}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.12077271, 0.33060623, 0.17599449], "xyz": [1.2523887302423158, 3.578876476560464, 1.88706067426408], "label": "Fe", "properties": {"magmom": 2.316}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.78800245, 0.53513065, 0.10774231], "xyz": [8.211700374186258, 5.787517561008908, 1.1374922687427214], "label": "Fe", "properties": {"magmom": 1.67}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.50636801, 0.65732361, 0.7400245], "xyz": [5.218546734914907, 7.202212163775361, 7.8006306051958365], "label": "Fe", "properties": {"magmom": 2.368}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.00416374, 0.9099813, 0.60283431], "xyz": [0.01868504849209192, 9.857544386274519, 6.46813906058939], "label": "Fe", "properties": {"magmom": 1.824}}]}, "nsites": 100, "elements": ["Fe"], "nelements": 1, "composition": {"Fe": 100.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "formula_anonymous": "A", "chemsys": "Fe", "volume": 1164.168615545698, "density": 7.9655817422403175, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "P1", "number": 1, "point_group": "1", "crystal_system": "triclinic", "hall": "P 1"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ed050cf3f7551cd852555df"}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 23:41:40.352000"}, "created_at": {"@module": "datetime", "@class": "datetime", "string": "2011-05-12 17:06:19"}, "task_ids": ["mp-990455", "mp-990459", "mp-990462", "mp-135", "mp-1440853"], "deprecated_tasks": [], "task_id": "mp-135", "origins": [{"materials_key": "bandstructure.band_gap", "task_type": "GGA NSCF Uniform", "task_id": "mp-990459", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-01-27 12:15:50"}}, {"materials_key": "bandstructure.efermi", "task_type": "GGA NSCF Uniform", "task_id": "mp-990459", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-01-27 12:15:50"}}, {"materials_key": "energy", "task_type": "GGA Static", "task_id": "mp-1440853", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 23:41:40.352000"}}, {"materials_key": "energy_per_atom", "task_type": "GGA Static", "task_id": "mp-1440853", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 23:41:40.352000"}}, {"materials_key": "structure", "task_type": "GGA Static", "task_id": "mp-1440853", "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 23:41:40.352000"}}], "task_types": {"mp-990459": "GGA NSCF Uniform", "mp-990462": "GGA NSCF Line", "mp-990455": "GGA Static", "mp-135": "GGA Structure Optimization", "mp-1440853": "GGA Static"}, "invalid_props": [], "_sbxn": ["vw", "mkhorton", "core", "shyamd", "jcesr", "basf"], "bandstructure": {"band_gap": 0.0, "bs_task": "mp-990462", "cbm": null, "dos_task": "mp-990459", "efermi": -0.22274646, "is_gap_direct": false, "is_metal": true, "uniform_task": "mp-990459", "vbm": null}, "energy": -1.90379596, "energy_per_atom": -1.90379596, "entries": {"gga": {"composition": {"Li": 1.0}, "energy": -1.90379596, "parameters": {"potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "run_type": "GGA", "task_id": "mp-1440853"}, "entry_id": "mp-135"}}, "initial_structures": [{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}], "inputs": {"nscf_line": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 10, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run along symmetry lines", "nkpoints": 264, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.00892857142857, -0.00892857142857, 0.00892857142857], [0.0178571428571, -0.0178571428571, 0.0178571428571], [0.0267857142857, -0.0267857142857, 0.0267857142857], [0.0357142857143, -0.0357142857143, 0.0357142857143], [0.0446428571429, -0.0446428571429, 0.0446428571429], [0.0535714285714, -0.0535714285714, 0.0535714285714], [0.0625, -0.0625, 0.0625], [0.0714285714286, -0.0714285714286, 0.0714285714286], [0.0803571428571, -0.0803571428571, 0.0803571428571], [0.0892857142857, -0.0892857142857, 0.0892857142857], [0.0982142857143, -0.0982142857143, 0.0982142857143], [0.107142857143, -0.107142857143, 0.107142857143], [0.116071428571, -0.116071428571, 0.116071428571], [0.125, -0.125, 0.125], [0.133928571429, -0.133928571429, 0.133928571429], [0.142857142857, -0.142857142857, 0.142857142857], [0.151785714286, -0.151785714286, 0.151785714286], [0.160714285714, -0.160714285714, 0.160714285714], [0.169642857143, -0.169642857143, 0.169642857143], [0.178571428571, -0.178571428571, 0.178571428571], [0.1875, -0.1875, 0.1875], [0.196428571429, -0.196428571429, 0.196428571429], [0.205357142857, -0.205357142857, 0.205357142857], [0.214285714286, -0.214285714286, 0.214285714286], [0.223214285714, -0.223214285714, 0.223214285714], [0.232142857143, -0.232142857143, 0.232142857143], [0.241071428571, -0.241071428571, 0.241071428571], [0.25, -0.25, 0.25], [0.258928571429, -0.258928571429, 0.258928571429], [0.267857142857, -0.267857142857, 0.267857142857], [0.276785714286, -0.276785714286, 0.276785714286], [0.285714285714, -0.285714285714, 0.285714285714], [0.294642857143, -0.294642857143, 0.294642857143], [0.303571428571, -0.303571428571, 0.303571428571], [0.3125, -0.3125, 0.3125], [0.321428571429, -0.321428571429, 0.321428571429], [0.330357142857, -0.330357142857, 0.330357142857], [0.339285714286, -0.339285714286, 0.339285714286], [0.348214285714, -0.348214285714, 0.348214285714], [0.357142857143, -0.357142857143, 0.357142857143], [0.366071428571, -0.366071428571, 0.366071428571], [0.375, -0.375, 0.375], [0.383928571429, -0.383928571429, 0.383928571429], [0.392857142857, -0.392857142857, 0.392857142857], [0.401785714286, -0.401785714286, 0.401785714286], [0.410714285714, -0.410714285714, 0.410714285714], [0.419642857143, -0.419642857143, 0.419642857143], [0.428571428571, -0.428571428571, 0.428571428571], [0.4375, -0.4375, 0.4375], [0.446428571429, -0.446428571429, 0.446428571429], [0.455357142857, -0.455357142857, 0.455357142857], [0.464285714286, -0.464285714286, 0.464285714286], [0.473214285714, -0.473214285714, 0.473214285714], [0.482142857143, -0.482142857143, 0.482142857143], [0.491071428571, -0.491071428571, 0.491071428571], [0.5, -0.5, 0.5], [0.5, -0.5, 0.5], [0.487179487179, -0.487179487179, 0.5], [0.474358974359, -0.474358974359, 0.5], [0.461538461538, -0.461538461538, 0.5], [0.448717948718, -0.448717948718, 0.5], [0.435897435897, -0.435897435897, 0.5], [0.423076923077, -0.423076923077, 0.5], [0.410256410256, -0.410256410256, 0.5], [0.397435897436, -0.397435897436, 0.5], [0.384615384615, -0.384615384615, 0.5], [0.371794871795, -0.371794871795, 0.5], [0.358974358974, -0.358974358974, 0.5], [0.346153846154, -0.346153846154, 0.5], [0.333333333333, -0.333333333333, 0.5], [0.320512820513, -0.320512820513, 0.5], [0.307692307692, -0.307692307692, 0.5], [0.294871794872, -0.294871794872, 0.5], [0.282051282051, -0.282051282051, 0.5], [0.269230769231, -0.269230769231, 0.5], [0.25641025641, -0.25641025641, 0.5], [0.24358974359, -0.24358974359, 0.5], [0.230769230769, -0.230769230769, 0.5], [0.217948717949, -0.217948717949, 0.5], [0.205128205128, -0.205128205128, 0.5], [0.192307692308, -0.192307692308, 0.5], [0.179487179487, -0.179487179487, 0.5], [0.166666666667, -0.166666666667, 0.5], [0.153846153846, -0.153846153846, 0.5], [0.141025641026, -0.141025641026, 0.5], [0.128205128205, -0.128205128205, 0.5], [0.115384615385, -0.115384615385, 0.5], [0.102564102564, -0.102564102564, 0.5], [0.0897435897436, -0.0897435897436, 0.5], [0.0769230769231, -0.0769230769231, 0.5], [0.0641025641026, -0.0641025641026, 0.5], [0.0512820512821, -0.0512820512821, 0.5], [0.0384615384615, -0.0384615384615, 0.5], [0.025641025641, -0.025641025641, 0.5], [0.0128205128205, -0.0128205128205, 0.5], [-2.77555756156e-17, 2.77555756156e-17, 0.5], [-2.77555756156e-17, 2.77555756156e-17, 0.5], [-2.77555756156e-17, 2.77555756156e-17, 0.487179487179], [-2.77555756156e-17, 2.77555756156e-17, 0.474358974359], [0.0, 0.0, 0.461538461538], [0.0, 0.0, 0.448717948718], [-2.77555756156e-17, 2.77555756156e-17, 0.435897435897], [-2.77555756156e-17, 2.77555756156e-17, 0.423076923077], [-2.77555756156e-17, 2.77555756156e-17, 0.410256410256], [0.0, 0.0, 0.397435897436], [-2.77555756156e-17, 2.77555756156e-17, 0.384615384615], [-2.77555756156e-17, 2.77555756156e-17, 0.371794871795], [0.0, 0.0, 0.358974358974], [-2.77555756156e-17, 2.77555756156e-17, 0.346153846154], [2.77555756156e-17, -2.77555756156e-17, 0.333333333333], [-2.77555756156e-17, 2.77555756156e-17, 0.320512820513], [5.55111512313e-17, -5.55111512313e-17, 0.307692307692], [0.0, 0.0, 0.294871794872], [0.0, 0.0, 0.282051282051], [0.0, 0.0, 0.269230769231], [0.0, 0.0, 0.25641025641], [-1.38777878078e-17, 1.38777878078e-17, 0.24358974359], [-1.38777878078e-17, 1.38777878078e-17, 0.230769230769], [-1.38777878078e-17, 1.38777878078e-17, 0.217948717949], [-1.38777878078e-17, 1.38777878078e-17, 0.205128205128], [-1.38777878078e-17, 1.38777878078e-17, 0.192307692308], [-1.38777878078e-17, 1.38777878078e-17, 0.179487179487], [0.0, 0.0, 0.166666666667], [-1.38777878078e-17, 1.38777878078e-17, 0.153846153846], [-1.38777878078e-17, 1.38777878078e-17, 0.141025641026], [-1.38777878078e-17, 1.38777878078e-17, 0.128205128205], [1.38777878078e-17, -1.38777878078e-17, 0.115384615385], [6.93889390391e-18, -6.93889390391e-18, 0.102564102564], [6.93889390391e-18, -6.93889390391e-18, 0.0897435897436], [1.38777878078e-17, -1.38777878078e-17, 0.0769230769231], [6.93889390391e-18, -6.93889390391e-18, 0.0641025641026], [3.46944695195e-18, -3.46944695195e-18, 0.0512820512821], [3.46944695195e-18, -3.46944695195e-18, 0.0384615384615], [3.46944695195e-18, -3.46944695195e-18, 0.025641025641], [1.73472347598e-18, -1.73472347598e-18, 0.0128205128205], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.00520833333333, 0.00520833333333, 0.00520833333333], [0.0104166666667, 0.0104166666667, 0.0104166666667], [0.015625, 0.015625, 0.015625], [0.0208333333333, 0.0208333333333, 0.0208333333333], [0.0260416666667, 0.0260416666667, 0.0260416666667], [0.03125, 0.03125, 0.03125], [0.0364583333333, 0.0364583333333, 0.0364583333333], [0.0416666666667, 0.0416666666667, 0.0416666666667], [0.046875, 0.046875, 0.046875], [0.0520833333333, 0.0520833333333, 0.0520833333333], [0.0572916666667, 0.0572916666667, 0.0572916666667], [0.0625, 0.0625, 0.0625], [0.0677083333333, 0.0677083333333, 0.0677083333333], [0.0729166666667, 0.0729166666667, 0.0729166666667], [0.078125, 0.078125, 0.078125], [0.0833333333333, 0.0833333333333, 0.0833333333333], [0.0885416666667, 0.0885416666667, 0.0885416666667], [0.09375, 0.09375, 0.09375], [0.0989583333333, 0.0989583333333, 0.0989583333333], [0.104166666667, 0.104166666667, 0.104166666667], [0.109375, 0.109375, 0.109375], [0.114583333333, 0.114583333333, 0.114583333333], [0.119791666667, 0.119791666667, 0.119791666667], [0.125, 0.125, 0.125], [0.130208333333, 0.130208333333, 0.130208333333], [0.135416666667, 0.135416666667, 0.135416666667], [0.140625, 0.140625, 0.140625], [0.145833333333, 0.145833333333, 0.145833333333], [0.151041666667, 0.151041666667, 0.151041666667], [0.15625, 0.15625, 0.15625], [0.161458333333, 0.161458333333, 0.161458333333], [0.166666666667, 0.166666666667, 0.166666666667], [0.171875, 0.171875, 0.171875], [0.177083333333, 0.177083333333, 0.177083333333], [0.182291666667, 0.182291666667, 0.182291666667], [0.1875, 0.1875, 0.1875], [0.192708333333, 0.192708333333, 0.192708333333], [0.197916666667, 0.197916666667, 0.197916666667], [0.203125, 0.203125, 0.203125], [0.208333333333, 0.208333333333, 0.208333333333], [0.213541666667, 0.213541666667, 0.213541666667], [0.21875, 0.21875, 0.21875], [0.223958333333, 0.223958333333, 0.223958333333], [0.229166666667, 0.229166666667, 0.229166666667], [0.234375, 0.234375, 0.234375], [0.239583333333, 0.239583333333, 0.239583333333], [0.244791666667, 0.244791666667, 0.244791666667], [0.25, 0.25, 0.25], [0.25, 0.25, 0.25], [0.255208333333, 0.234375, 0.255208333333], [0.260416666667, 0.21875, 0.260416666667], [0.265625, 0.203125, 0.265625], [0.270833333333, 0.1875, 0.270833333333], [0.276041666667, 0.171875, 0.276041666667], [0.28125, 0.15625, 0.28125], [0.286458333333, 0.140625, 0.286458333333], [0.291666666667, 0.125, 0.291666666667], [0.296875, 0.109375, 0.296875], [0.302083333333, 0.09375, 0.302083333333], [0.307291666667, 0.078125, 0.307291666667], [0.3125, 0.0625, 0.3125], [0.317708333333, 0.046875, 0.317708333333], [0.322916666667, 0.03125, 0.322916666667], [0.328125, 0.015625, 0.328125], [0.333333333333, 2.77555756156e-17, 0.333333333333], [0.338541666667, -0.015625, 0.338541666667], [0.34375, -0.03125, 0.34375], [0.348958333333, -0.046875, 0.348958333333], [0.354166666667, -0.0625, 0.354166666667], [0.359375, -0.078125, 0.359375], [0.364583333333, -0.09375, 0.364583333333], [0.369791666667, -0.109375, 0.369791666667], [0.375, -0.125, 0.375], [0.380208333333, -0.140625, 0.380208333333], [0.385416666667, -0.15625, 0.385416666667], [0.390625, -0.171875, 0.390625], [0.395833333333, -0.1875, 0.395833333333], [0.401041666667, -0.203125, 0.401041666667], [0.40625, -0.21875, 0.40625], [0.411458333333, -0.234375, 0.411458333333], [0.416666666667, -0.25, 0.416666666667], [0.421875, -0.265625, 0.421875], [0.427083333333, -0.28125, 0.427083333333], [0.432291666667, -0.296875, 0.432291666667], [0.4375, -0.3125, 0.4375], [0.442708333333, -0.328125, 0.442708333333], [0.447916666667, -0.34375, 0.447916666667], [0.453125, -0.359375, 0.453125], [0.458333333333, -0.375, 0.458333333333], [0.463541666667, -0.390625, 0.463541666667], [0.46875, -0.40625, 0.46875], [0.473958333333, -0.421875, 0.473958333333], [0.479166666667, -0.4375, 0.479166666667], [0.484375, -0.453125, 0.484375], [0.489583333333, -0.46875, 0.489583333333], [0.494791666667, -0.484375, 0.494791666667], [0.5, -0.5, 0.5], [0.25, 0.25, 0.25], [0.241071428571, 0.241071428571, 0.258928571429], [0.232142857143, 0.232142857143, 0.267857142857], [0.223214285714, 0.223214285714, 0.276785714286], [0.214285714286, 0.214285714286, 0.285714285714], [0.205357142857, 0.205357142857, 0.294642857143], [0.196428571429, 0.196428571429, 0.303571428571], [0.1875, 0.1875, 0.3125], [0.178571428571, 0.178571428571, 0.321428571429], [0.169642857143, 0.169642857143, 0.330357142857], [0.160714285714, 0.160714285714, 0.339285714286], [0.151785714286, 0.151785714286, 0.348214285714], [0.142857142857, 0.142857142857, 0.357142857143], [0.133928571429, 0.133928571429, 0.366071428571], [0.125, 0.125, 0.375], [0.116071428571, 0.116071428571, 0.383928571429], [0.107142857143, 0.107142857143, 0.392857142857], [0.0982142857143, 0.0982142857143, 0.401785714286], [0.0892857142857, 0.0892857142857, 0.410714285714], [0.0803571428571, 0.0803571428571, 0.419642857143], [0.0714285714286, 0.0714285714286, 0.428571428571], [0.0625, 0.0625, 0.4375], [0.0535714285714, 0.0535714285714, 0.446428571429], [0.0446428571429, 0.0446428571429, 0.455357142857], [0.0357142857143, 0.0357142857143, 0.464285714286], [0.0267857142857, 0.0267857142857, 0.473214285714], [0.0178571428571, 0.0178571428571, 0.482142857143], [0.00892857142857, 0.00892857142857, 0.491071428571], [-2.77555756156e-17, 2.77555756156e-17, 0.5]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "coord_type": null, "labels": ["\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "H", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "N", "N", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "\\Gamma", "\\Gamma", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "P", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "H", "P", null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, "N"], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "nscf_uniform": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 11, "ISIF": 3, "ISMEAR": 0, "ISPIN": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": false, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LWAVE": false, "NBANDS": 8, "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.001, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Non SCF run on uniform grid", "nkpoints": 560, "generation_style": "Reciprocal", "kpoints": [[0.0, 0.0, 0.0], [0.037037037037, 0.0, 0.0], [0.0740740740741, 0.0, 0.0], [0.111111111111, 0.0, 0.0], [0.148148148148, 0.0, 0.0], [0.185185185185, 0.0, 0.0], [0.222222222222, 0.0, 0.0], [0.259259259259, 0.0, 0.0], [0.296296296296, 0.0, 0.0], [0.333333333333, 0.0, 0.0], [0.37037037037, 0.0, 0.0], [0.407407407407, 0.0, 0.0], [0.444444444444, 0.0, 0.0], [0.481481481481, 0.0, 0.0], [0.037037037037, 0.037037037037, 0.0], [0.0740740740741, 0.037037037037, 0.0], [0.111111111111, 0.037037037037, 0.0], [0.148148148148, 0.037037037037, 0.0], [0.185185185185, 0.037037037037, 0.0], [0.222222222222, 0.037037037037, 0.0], [0.259259259259, 0.037037037037, 0.0], [0.296296296296, 0.037037037037, 0.0], [0.333333333333, 0.037037037037, 0.0], [0.37037037037, 0.037037037037, 0.0], [0.407407407407, 0.037037037037, 0.0], [0.444444444444, 0.037037037037, 0.0], [0.481481481481, 0.037037037037, 0.0], [0.0740740740741, 0.0740740740741, 0.0], [0.111111111111, 0.0740740740741, 0.0], [0.148148148148, 0.0740740740741, 0.0], [0.185185185185, 0.0740740740741, 0.0], [0.222222222222, 0.0740740740741, 0.0], [0.259259259259, 0.0740740740741, 0.0], [0.296296296296, 0.0740740740741, 0.0], [0.333333333333, 0.0740740740741, 0.0], [0.37037037037, 0.0740740740741, 0.0], [0.407407407407, 0.0740740740741, 0.0], [0.444444444444, 0.0740740740741, 0.0], [0.111111111111, 0.111111111111, 0.0], [0.148148148148, 0.111111111111, 0.0], [0.185185185185, 0.111111111111, 0.0], [0.222222222222, 0.111111111111, 0.0], [0.259259259259, 0.111111111111, 0.0], [0.296296296296, 0.111111111111, 0.0], [0.333333333333, 0.111111111111, 0.0], [0.37037037037, 0.111111111111, 0.0], [0.407407407407, 0.111111111111, 0.0], [0.444444444444, 0.111111111111, 0.0], [0.148148148148, 0.148148148148, 0.0], [0.185185185185, 0.148148148148, 0.0], [0.222222222222, 0.148148148148, 0.0], [0.259259259259, 0.148148148148, 0.0], [0.296296296296, 0.148148148148, 0.0], [0.333333333333, 0.148148148148, 0.0], [0.37037037037, 0.148148148148, 0.0], [0.407407407407, 0.148148148148, 0.0], [0.185185185185, 0.185185185185, 0.0], [0.222222222222, 0.185185185185, 0.0], [0.259259259259, 0.185185185185, 0.0], [0.296296296296, 0.185185185185, 0.0], [0.333333333333, 0.185185185185, 0.0], [0.37037037037, 0.185185185185, 0.0], [0.407407407407, 0.185185185185, 0.0], [0.222222222222, 0.222222222222, 0.0], [0.259259259259, 0.222222222222, 0.0], [0.296296296296, 0.222222222222, 0.0], [0.333333333333, 0.222222222222, 0.0], [0.37037037037, 0.222222222222, 0.0], [0.259259259259, 0.259259259259, 0.0], [0.296296296296, 0.259259259259, 0.0], [0.333333333333, 0.259259259259, 0.0], [0.37037037037, 0.259259259259, 0.0], [0.296296296296, 0.296296296296, 0.0], [0.333333333333, 0.296296296296, 0.0], [0.333333333333, 0.333333333333, 0.0], [0.037037037037, 0.037037037037, 0.037037037037], [0.0740740740741, 0.037037037037, 0.037037037037], [0.111111111111, 0.037037037037, 0.037037037037], [0.148148148148, 0.037037037037, 0.037037037037], [0.185185185185, 0.037037037037, 0.037037037037], [0.222222222222, 0.037037037037, 0.037037037037], [0.259259259259, 0.037037037037, 0.037037037037], [0.296296296296, 0.037037037037, 0.037037037037], [0.333333333333, 0.037037037037, 0.037037037037], [0.37037037037, 0.037037037037, 0.037037037037], [0.407407407407, 0.037037037037, 0.037037037037], [0.444444444444, 0.037037037037, 0.037037037037], [-0.037037037037, 0.037037037037, 0.037037037037], [0.0740740740741, 0.0740740740741, 0.037037037037], [0.111111111111, 0.0740740740741, 0.037037037037], [0.148148148148, 0.0740740740741, 0.037037037037], [0.185185185185, 0.0740740740741, 0.037037037037], [0.222222222222, 0.0740740740741, 0.037037037037], [0.259259259259, 0.0740740740741, 0.037037037037], [0.296296296296, 0.0740740740741, 0.037037037037], [0.333333333333, 0.0740740740741, 0.037037037037], [0.37037037037, 0.0740740740741, 0.037037037037], [0.407407407407, 0.0740740740741, 0.037037037037], [0.444444444444, 0.0740740740741, 0.037037037037], [-0.0740740740741, 0.0740740740741, 0.037037037037], [0.111111111111, 0.111111111111, 0.037037037037], [0.148148148148, 0.111111111111, 0.037037037037], [0.185185185185, 0.111111111111, 0.037037037037], [0.222222222222, 0.111111111111, 0.037037037037], [0.259259259259, 0.111111111111, 0.037037037037], [0.296296296296, 0.111111111111, 0.037037037037], [0.333333333333, 0.111111111111, 0.037037037037], [0.37037037037, 0.111111111111, 0.037037037037], [0.407407407407, 0.111111111111, 0.037037037037], [-0.111111111111, 0.111111111111, 0.037037037037], [-0.0740740740741, 0.111111111111, 0.037037037037], [0.148148148148, 0.148148148148, 0.037037037037], [0.185185185185, 0.148148148148, 0.037037037037], [0.222222222222, 0.148148148148, 0.037037037037], [0.259259259259, 0.148148148148, 0.037037037037], [0.296296296296, 0.148148148148, 0.037037037037], [0.333333333333, 0.148148148148, 0.037037037037], [0.37037037037, 0.148148148148, 0.037037037037], [0.407407407407, 0.148148148148, 0.037037037037], [-0.148148148148, 0.148148148148, 0.037037037037], [-0.111111111111, 0.148148148148, 0.037037037037], [0.185185185185, 0.185185185185, 0.037037037037], [0.222222222222, 0.185185185185, 0.037037037037], [0.259259259259, 0.185185185185, 0.037037037037], [0.296296296296, 0.185185185185, 0.037037037037], [0.333333333333, 0.185185185185, 0.037037037037], [0.37037037037, 0.185185185185, 0.037037037037], [-0.185185185185, 0.185185185185, 0.037037037037], [-0.148148148148, 0.185185185185, 0.037037037037], [-0.111111111111, 0.185185185185, 0.037037037037], [0.222222222222, 0.222222222222, 0.037037037037], [0.259259259259, 0.222222222222, 0.037037037037], [0.296296296296, 0.222222222222, 0.037037037037], [0.333333333333, 0.222222222222, 0.037037037037], [0.37037037037, 0.222222222222, 0.037037037037], [-0.222222222222, 0.222222222222, 0.037037037037], [-0.185185185185, 0.222222222222, 0.037037037037], [-0.148148148148, 0.222222222222, 0.037037037037], [0.259259259259, 0.259259259259, 0.037037037037], [0.296296296296, 0.259259259259, 0.037037037037], [0.333333333333, 0.259259259259, 0.037037037037], [-0.259259259259, 0.259259259259, 0.037037037037], [-0.222222222222, 0.259259259259, 0.037037037037], [-0.185185185185, 0.259259259259, 0.037037037037], [-0.148148148148, 0.259259259259, 0.037037037037], [0.296296296296, 0.296296296296, 0.037037037037], [0.333333333333, 0.296296296296, 0.037037037037], [-0.296296296296, 0.296296296296, 0.037037037037], [-0.259259259259, 0.296296296296, 0.037037037037], [-0.222222222222, 0.296296296296, 0.037037037037], [-0.185185185185, 0.296296296296, 0.037037037037], [-0.333333333333, 0.333333333333, 0.037037037037], [-0.296296296296, 0.333333333333, 0.037037037037], [-0.259259259259, 0.333333333333, 0.037037037037], [-0.222222222222, 0.333333333333, 0.037037037037], [-0.185185185185, 0.333333333333, 0.037037037037], [-0.37037037037, 0.37037037037, 0.037037037037], [-0.333333333333, 0.37037037037, 0.037037037037], [-0.296296296296, 0.37037037037, 0.037037037037], [-0.259259259259, 0.37037037037, 0.037037037037], [-0.222222222222, 0.37037037037, 0.037037037037], [-0.407407407407, 0.407407407407, 0.037037037037], [-0.37037037037, 0.407407407407, 0.037037037037], [-0.333333333333, 0.407407407407, 0.037037037037], [-0.296296296296, 0.407407407407, 0.037037037037], [-0.259259259259, 0.407407407407, 0.037037037037], [-0.222222222222, 0.407407407407, 0.037037037037], [-0.444444444444, 0.444444444444, 0.037037037037], [-0.407407407407, 0.444444444444, 0.037037037037], [-0.37037037037, 0.444444444444, 0.037037037037], [-0.333333333333, 0.444444444444, 0.037037037037], [-0.296296296296, 0.444444444444, 0.037037037037], [-0.259259259259, 0.444444444444, 0.037037037037], [-0.481481481481, 0.481481481481, 0.037037037037], [-0.444444444444, 0.481481481481, 0.037037037037], [-0.407407407407, 0.481481481481, 0.037037037037], [-0.37037037037, 0.481481481481, 0.037037037037], [-0.333333333333, 0.481481481481, 0.037037037037], [-0.296296296296, 0.481481481481, 0.037037037037], [-0.259259259259, 0.481481481481, 0.037037037037], [-0.481481481481, -0.481481481481, 0.037037037037], [-0.444444444444, -0.481481481481, 0.037037037037], [-0.407407407407, -0.481481481481, 0.037037037037], [-0.37037037037, -0.481481481481, 0.037037037037], [-0.333333333333, -0.481481481481, 0.037037037037], [-0.296296296296, -0.481481481481, 0.037037037037], [-0.444444444444, -0.444444444444, 0.037037037037], [-0.407407407407, -0.444444444444, 0.037037037037], [-0.37037037037, -0.444444444444, 0.037037037037], [-0.333333333333, -0.444444444444, 0.037037037037], [-0.296296296296, -0.444444444444, 0.037037037037], [-0.407407407407, -0.407407407407, 0.037037037037], [-0.37037037037, -0.407407407407, 0.037037037037], [-0.333333333333, -0.407407407407, 0.037037037037], [-0.37037037037, -0.37037037037, 0.037037037037], [-0.333333333333, -0.37037037037, 0.037037037037], [0.0740740740741, 0.0740740740741, 0.0740740740741], [0.111111111111, 0.0740740740741, 0.0740740740741], [0.148148148148, 0.0740740740741, 0.0740740740741], [0.185185185185, 0.0740740740741, 0.0740740740741], [0.222222222222, 0.0740740740741, 0.0740740740741], [0.259259259259, 0.0740740740741, 0.0740740740741], [0.296296296296, 0.0740740740741, 0.0740740740741], [0.333333333333, 0.0740740740741, 0.0740740740741], [0.37037037037, 0.0740740740741, 0.0740740740741], [0.407407407407, 0.0740740740741, 0.0740740740741], [-0.0740740740741, 0.0740740740741, 0.0740740740741], [0.111111111111, 0.111111111111, 0.0740740740741], [0.148148148148, 0.111111111111, 0.0740740740741], [0.185185185185, 0.111111111111, 0.0740740740741], [0.222222222222, 0.111111111111, 0.0740740740741], [0.259259259259, 0.111111111111, 0.0740740740741], [0.296296296296, 0.111111111111, 0.0740740740741], [0.333333333333, 0.111111111111, 0.0740740740741], [0.37037037037, 0.111111111111, 0.0740740740741], [0.407407407407, 0.111111111111, 0.0740740740741], [-0.111111111111, 0.111111111111, 0.0740740740741], [0.148148148148, 0.148148148148, 0.0740740740741], [0.185185185185, 0.148148148148, 0.0740740740741], [0.222222222222, 0.148148148148, 0.0740740740741], [0.259259259259, 0.148148148148, 0.0740740740741], [0.296296296296, 0.148148148148, 0.0740740740741], [0.333333333333, 0.148148148148, 0.0740740740741], [0.37037037037, 0.148148148148, 0.0740740740741], [-0.148148148148, 0.148148148148, 0.0740740740741], [-0.111111111111, 0.148148148148, 0.0740740740741], [0.185185185185, 0.185185185185, 0.0740740740741], [0.222222222222, 0.185185185185, 0.0740740740741], [0.259259259259, 0.185185185185, 0.0740740740741], [0.296296296296, 0.185185185185, 0.0740740740741], [0.333333333333, 0.185185185185, 0.0740740740741], [0.37037037037, 0.185185185185, 0.0740740740741], [-0.185185185185, 0.185185185185, 0.0740740740741], [-0.148148148148, 0.185185185185, 0.0740740740741], [0.222222222222, 0.222222222222, 0.0740740740741], [0.259259259259, 0.222222222222, 0.0740740740741], [0.296296296296, 0.222222222222, 0.0740740740741], [0.333333333333, 0.222222222222, 0.0740740740741], [-0.222222222222, 0.222222222222, 0.0740740740741], [-0.185185185185, 0.222222222222, 0.0740740740741], [-0.148148148148, 0.222222222222, 0.0740740740741], [0.259259259259, 0.259259259259, 0.0740740740741], [0.296296296296, 0.259259259259, 0.0740740740741], [0.333333333333, 0.259259259259, 0.0740740740741], [-0.259259259259, 0.259259259259, 0.0740740740741], [-0.222222222222, 0.259259259259, 0.0740740740741], [-0.185185185185, 0.259259259259, 0.0740740740741], [0.296296296296, 0.296296296296, 0.0740740740741], [-0.296296296296, 0.296296296296, 0.0740740740741], [-0.259259259259, 0.296296296296, 0.0740740740741], [-0.222222222222, 0.296296296296, 0.0740740740741], [-0.185185185185, 0.296296296296, 0.0740740740741], [-0.333333333333, 0.333333333333, 0.0740740740741], [-0.296296296296, 0.333333333333, 0.0740740740741], [-0.259259259259, 0.333333333333, 0.0740740740741], [-0.222222222222, 0.333333333333, 0.0740740740741], [-0.37037037037, 0.37037037037, 0.0740740740741], [-0.333333333333, 0.37037037037, 0.0740740740741], [-0.296296296296, 0.37037037037, 0.0740740740741], [-0.259259259259, 0.37037037037, 0.0740740740741], [-0.222222222222, 0.37037037037, 0.0740740740741], [-0.407407407407, 0.407407407407, 0.0740740740741], [-0.37037037037, 0.407407407407, 0.0740740740741], [-0.333333333333, 0.407407407407, 0.0740740740741], [-0.296296296296, 0.407407407407, 0.0740740740741], [-0.259259259259, 0.407407407407, 0.0740740740741], [-0.444444444444, 0.444444444444, 0.0740740740741], [-0.407407407407, 0.444444444444, 0.0740740740741], [-0.37037037037, 0.444444444444, 0.0740740740741], [-0.333333333333, 0.444444444444, 0.0740740740741], [-0.296296296296, 0.444444444444, 0.0740740740741], [-0.259259259259, 0.444444444444, 0.0740740740741], [-0.481481481481, 0.481481481481, 0.0740740740741], [-0.444444444444, 0.481481481481, 0.0740740740741], [-0.407407407407, 0.481481481481, 0.0740740740741], [-0.37037037037, 0.481481481481, 0.0740740740741], [-0.333333333333, 0.481481481481, 0.0740740740741], [-0.296296296296, 0.481481481481, 0.0740740740741], [-0.481481481481, -0.481481481481, 0.0740740740741], [-0.444444444444, -0.481481481481, 0.0740740740741], [-0.407407407407, -0.481481481481, 0.0740740740741], [-0.37037037037, -0.481481481481, 0.0740740740741], [-0.333333333333, -0.481481481481, 0.0740740740741], [-0.296296296296, -0.481481481481, 0.0740740740741], [-0.444444444444, -0.444444444444, 0.0740740740741], [-0.407407407407, -0.444444444444, 0.0740740740741], [-0.37037037037, -0.444444444444, 0.0740740740741], [-0.333333333333, -0.444444444444, 0.0740740740741], [-0.407407407407, -0.407407407407, 0.0740740740741], [-0.37037037037, -0.407407407407, 0.0740740740741], [-0.333333333333, -0.407407407407, 0.0740740740741], [-0.37037037037, -0.37037037037, 0.0740740740741], [0.111111111111, 0.111111111111, 0.111111111111], [0.148148148148, 0.111111111111, 0.111111111111], [0.185185185185, 0.111111111111, 0.111111111111], [0.222222222222, 0.111111111111, 0.111111111111], [0.259259259259, 0.111111111111, 0.111111111111], [0.296296296296, 0.111111111111, 0.111111111111], [0.333333333333, 0.111111111111, 0.111111111111], [0.37037037037, 0.111111111111, 0.111111111111], [-0.111111111111, 0.111111111111, 0.111111111111], [0.148148148148, 0.148148148148, 0.111111111111], [0.185185185185, 0.148148148148, 0.111111111111], [0.222222222222, 0.148148148148, 0.111111111111], [0.259259259259, 0.148148148148, 0.111111111111], [0.296296296296, 0.148148148148, 0.111111111111], [0.333333333333, 0.148148148148, 0.111111111111], [0.37037037037, 0.148148148148, 0.111111111111], [-0.148148148148, 0.148148148148, 0.111111111111], [0.185185185185, 0.185185185185, 0.111111111111], [0.222222222222, 0.185185185185, 0.111111111111], [0.259259259259, 0.185185185185, 0.111111111111], [0.296296296296, 0.185185185185, 0.111111111111], [0.333333333333, 0.185185185185, 0.111111111111], [-0.185185185185, 0.185185185185, 0.111111111111], [-0.148148148148, 0.185185185185, 0.111111111111], [0.222222222222, 0.222222222222, 0.111111111111], [0.259259259259, 0.222222222222, 0.111111111111], [0.296296296296, 0.222222222222, 0.111111111111], [0.333333333333, 0.222222222222, 0.111111111111], [-0.222222222222, 0.222222222222, 0.111111111111], [-0.185185185185, 0.222222222222, 0.111111111111], [0.259259259259, 0.259259259259, 0.111111111111], [0.296296296296, 0.259259259259, 0.111111111111], [-0.259259259259, 0.259259259259, 0.111111111111], [-0.222222222222, 0.259259259259, 0.111111111111], [-0.185185185185, 0.259259259259, 0.111111111111], [0.296296296296, 0.296296296296, 0.111111111111], [-0.296296296296, 0.296296296296, 0.111111111111], [-0.259259259259, 0.296296296296, 0.111111111111], [-0.222222222222, 0.296296296296, 0.111111111111], [-0.333333333333, 0.333333333333, 0.111111111111], [-0.296296296296, 0.333333333333, 0.111111111111], [-0.259259259259, 0.333333333333, 0.111111111111], [-0.222222222222, 0.333333333333, 0.111111111111], [-0.37037037037, 0.37037037037, 0.111111111111], [-0.333333333333, 0.37037037037, 0.111111111111], [-0.296296296296, 0.37037037037, 0.111111111111], [-0.259259259259, 0.37037037037, 0.111111111111], [-0.407407407407, 0.407407407407, 0.111111111111], [-0.37037037037, 0.407407407407, 0.111111111111], [-0.333333333333, 0.407407407407, 0.111111111111], [-0.296296296296, 0.407407407407, 0.111111111111], [-0.259259259259, 0.407407407407, 0.111111111111], [-0.444444444444, 0.444444444444, 0.111111111111], [-0.407407407407, 0.444444444444, 0.111111111111], [-0.37037037037, 0.444444444444, 0.111111111111], [-0.333333333333, 0.444444444444, 0.111111111111], [-0.296296296296, 0.444444444444, 0.111111111111], [-0.481481481481, 0.481481481481, 0.111111111111], [-0.444444444444, 0.481481481481, 0.111111111111], [-0.407407407407, 0.481481481481, 0.111111111111], [-0.37037037037, 0.481481481481, 0.111111111111], [-0.333333333333, 0.481481481481, 0.111111111111], [-0.296296296296, 0.481481481481, 0.111111111111], [-0.481481481481, -0.481481481481, 0.111111111111], [-0.444444444444, -0.481481481481, 0.111111111111], [-0.407407407407, -0.481481481481, 0.111111111111], [-0.37037037037, -0.481481481481, 0.111111111111], [-0.333333333333, -0.481481481481, 0.111111111111], [-0.444444444444, -0.444444444444, 0.111111111111], [-0.407407407407, -0.444444444444, 0.111111111111], [-0.37037037037, -0.444444444444, 0.111111111111], [-0.333333333333, -0.444444444444, 0.111111111111], [-0.407407407407, -0.407407407407, 0.111111111111], [-0.37037037037, -0.407407407407, 0.111111111111], [-0.37037037037, -0.37037037037, 0.111111111111], [0.148148148148, 0.148148148148, 0.148148148148], [0.185185185185, 0.148148148148, 0.148148148148], [0.222222222222, 0.148148148148, 0.148148148148], [0.259259259259, 0.148148148148, 0.148148148148], [0.296296296296, 0.148148148148, 0.148148148148], [0.333333333333, 0.148148148148, 0.148148148148], [-0.148148148148, 0.148148148148, 0.148148148148], [0.185185185185, 0.185185185185, 0.148148148148], [0.222222222222, 0.185185185185, 0.148148148148], [0.259259259259, 0.185185185185, 0.148148148148], [0.296296296296, 0.185185185185, 0.148148148148], [0.333333333333, 0.185185185185, 0.148148148148], [-0.185185185185, 0.185185185185, 0.148148148148], [0.222222222222, 0.222222222222, 0.148148148148], [0.259259259259, 0.222222222222, 0.148148148148], [0.296296296296, 0.222222222222, 0.148148148148], [-0.222222222222, 0.222222222222, 0.148148148148], [-0.185185185185, 0.222222222222, 0.148148148148], [0.259259259259, 0.259259259259, 0.148148148148], [0.296296296296, 0.259259259259, 0.148148148148], [-0.259259259259, 0.259259259259, 0.148148148148], [-0.222222222222, 0.259259259259, 0.148148148148], [-0.296296296296, 0.296296296296, 0.148148148148], [-0.259259259259, 0.296296296296, 0.148148148148], [-0.222222222222, 0.296296296296, 0.148148148148], [-0.333333333333, 0.333333333333, 0.148148148148], [-0.296296296296, 0.333333333333, 0.148148148148], [-0.259259259259, 0.333333333333, 0.148148148148], [-0.37037037037, 0.37037037037, 0.148148148148], [-0.333333333333, 0.37037037037, 0.148148148148], [-0.296296296296, 0.37037037037, 0.148148148148], [-0.259259259259, 0.37037037037, 0.148148148148], [-0.407407407407, 0.407407407407, 0.148148148148], [-0.37037037037, 0.407407407407, 0.148148148148], [-0.333333333333, 0.407407407407, 0.148148148148], [-0.296296296296, 0.407407407407, 0.148148148148], [-0.444444444444, 0.444444444444, 0.148148148148], [-0.407407407407, 0.444444444444, 0.148148148148], [-0.37037037037, 0.444444444444, 0.148148148148], [-0.333333333333, 0.444444444444, 0.148148148148], [-0.296296296296, 0.444444444444, 0.148148148148], [-0.481481481481, 0.481481481481, 0.148148148148], [-0.444444444444, 0.481481481481, 0.148148148148], [-0.407407407407, 0.481481481481, 0.148148148148], [-0.37037037037, 0.481481481481, 0.148148148148], [-0.333333333333, 0.481481481481, 0.148148148148], [-0.481481481481, -0.481481481481, 0.148148148148], [-0.444444444444, -0.481481481481, 0.148148148148], [-0.407407407407, -0.481481481481, 0.148148148148], [-0.37037037037, -0.481481481481, 0.148148148148], [-0.333333333333, -0.481481481481, 0.148148148148], [-0.444444444444, -0.444444444444, 0.148148148148], [-0.407407407407, -0.444444444444, 0.148148148148], [-0.37037037037, -0.444444444444, 0.148148148148], [-0.407407407407, -0.407407407407, 0.148148148148], [-0.37037037037, -0.407407407407, 0.148148148148], [0.185185185185, 0.185185185185, 0.185185185185], [0.222222222222, 0.185185185185, 0.185185185185], [0.259259259259, 0.185185185185, 0.185185185185], [0.296296296296, 0.185185185185, 0.185185185185], [-0.185185185185, 0.185185185185, 0.185185185185], [0.222222222222, 0.222222222222, 0.185185185185], [0.259259259259, 0.222222222222, 0.185185185185], [0.296296296296, 0.222222222222, 0.185185185185], [-0.222222222222, 0.222222222222, 0.185185185185], [0.259259259259, 0.259259259259, 0.185185185185], [-0.259259259259, 0.259259259259, 0.185185185185], [-0.222222222222, 0.259259259259, 0.185185185185], [-0.296296296296, 0.296296296296, 0.185185185185], [-0.259259259259, 0.296296296296, 0.185185185185], [-0.333333333333, 0.333333333333, 0.185185185185], [-0.296296296296, 0.333333333333, 0.185185185185], [-0.259259259259, 0.333333333333, 0.185185185185], [-0.37037037037, 0.37037037037, 0.185185185185], [-0.333333333333, 0.37037037037, 0.185185185185], [-0.296296296296, 0.37037037037, 0.185185185185], [-0.407407407407, 0.407407407407, 0.185185185185], [-0.37037037037, 0.407407407407, 0.185185185185], [-0.333333333333, 0.407407407407, 0.185185185185], [-0.296296296296, 0.407407407407, 0.185185185185], [-0.444444444444, 0.444444444444, 0.185185185185], [-0.407407407407, 0.444444444444, 0.185185185185], [-0.37037037037, 0.444444444444, 0.185185185185], [-0.333333333333, 0.444444444444, 0.185185185185], [-0.481481481481, 0.481481481481, 0.185185185185], [-0.444444444444, 0.481481481481, 0.185185185185], [-0.407407407407, 0.481481481481, 0.185185185185], [-0.37037037037, 0.481481481481, 0.185185185185], [-0.333333333333, 0.481481481481, 0.185185185185], [-0.481481481481, -0.481481481481, 0.185185185185], [-0.444444444444, -0.481481481481, 0.185185185185], [-0.407407407407, -0.481481481481, 0.185185185185], [-0.37037037037, -0.481481481481, 0.185185185185], [-0.444444444444, -0.444444444444, 0.185185185185], [-0.407407407407, -0.444444444444, 0.185185185185], [-0.37037037037, -0.444444444444, 0.185185185185], [-0.407407407407, -0.407407407407, 0.185185185185], [0.222222222222, 0.222222222222, 0.222222222222], [0.259259259259, 0.222222222222, 0.222222222222], [-0.222222222222, 0.222222222222, 0.222222222222], [0.259259259259, 0.259259259259, 0.222222222222], [-0.259259259259, 0.259259259259, 0.222222222222], [-0.296296296296, 0.296296296296, 0.222222222222], [-0.259259259259, 0.296296296296, 0.222222222222], [-0.333333333333, 0.333333333333, 0.222222222222], [-0.296296296296, 0.333333333333, 0.222222222222], [-0.37037037037, 0.37037037037, 0.222222222222], [-0.333333333333, 0.37037037037, 0.222222222222], [-0.296296296296, 0.37037037037, 0.222222222222], [-0.407407407407, 0.407407407407, 0.222222222222], [-0.37037037037, 0.407407407407, 0.222222222222], [-0.333333333333, 0.407407407407, 0.222222222222], [-0.444444444444, 0.444444444444, 0.222222222222], [-0.407407407407, 0.444444444444, 0.222222222222], [-0.37037037037, 0.444444444444, 0.222222222222], [-0.333333333333, 0.444444444444, 0.222222222222], [-0.481481481481, 0.481481481481, 0.222222222222], [-0.444444444444, 0.481481481481, 0.222222222222], [-0.407407407407, 0.481481481481, 0.222222222222], [-0.37037037037, 0.481481481481, 0.222222222222], [-0.481481481481, -0.481481481481, 0.222222222222], [-0.444444444444, -0.481481481481, 0.222222222222], [-0.407407407407, -0.481481481481, 0.222222222222], [-0.37037037037, -0.481481481481, 0.222222222222], [-0.444444444444, -0.444444444444, 0.222222222222], [-0.407407407407, -0.444444444444, 0.222222222222], [-0.407407407407, -0.407407407407, 0.222222222222], [-0.259259259259, 0.259259259259, 0.259259259259], [-0.296296296296, 0.296296296296, 0.259259259259], [-0.333333333333, 0.333333333333, 0.259259259259], [-0.296296296296, 0.333333333333, 0.259259259259], [-0.37037037037, 0.37037037037, 0.259259259259], [-0.333333333333, 0.37037037037, 0.259259259259], [-0.407407407407, 0.407407407407, 0.259259259259], [-0.37037037037, 0.407407407407, 0.259259259259], [-0.333333333333, 0.407407407407, 0.259259259259], [-0.444444444444, 0.444444444444, 0.259259259259], [-0.407407407407, 0.444444444444, 0.259259259259], [-0.37037037037, 0.444444444444, 0.259259259259], [-0.481481481481, 0.481481481481, 0.259259259259], [-0.444444444444, 0.481481481481, 0.259259259259], [-0.407407407407, 0.481481481481, 0.259259259259], [-0.37037037037, 0.481481481481, 0.259259259259], [-0.481481481481, -0.481481481481, 0.259259259259], [-0.444444444444, -0.481481481481, 0.259259259259], [-0.407407407407, -0.481481481481, 0.259259259259], [-0.444444444444, -0.444444444444, 0.259259259259], [-0.407407407407, -0.444444444444, 0.259259259259], [-0.296296296296, 0.296296296296, 0.296296296296], [-0.333333333333, 0.333333333333, 0.296296296296], [-0.37037037037, 0.37037037037, 0.296296296296], [-0.333333333333, 0.37037037037, 0.296296296296], [-0.407407407407, 0.407407407407, 0.296296296296], [-0.37037037037, 0.407407407407, 0.296296296296], [-0.444444444444, 0.444444444444, 0.296296296296], [-0.407407407407, 0.444444444444, 0.296296296296], [-0.37037037037, 0.444444444444, 0.296296296296], [-0.481481481481, 0.481481481481, 0.296296296296], [-0.444444444444, 0.481481481481, 0.296296296296], [-0.407407407407, 0.481481481481, 0.296296296296], [-0.481481481481, -0.481481481481, 0.296296296296], [-0.444444444444, -0.481481481481, 0.296296296296], [-0.407407407407, -0.481481481481, 0.296296296296], [-0.444444444444, -0.444444444444, 0.296296296296], [-0.333333333333, 0.333333333333, 0.333333333333], [-0.37037037037, 0.37037037037, 0.333333333333], [-0.407407407407, 0.407407407407, 0.333333333333], [-0.37037037037, 0.407407407407, 0.333333333333], [-0.444444444444, 0.444444444444, 0.333333333333], [-0.407407407407, 0.444444444444, 0.333333333333], [-0.481481481481, 0.481481481481, 0.333333333333], [-0.444444444444, 0.481481481481, 0.333333333333], [-0.407407407407, 0.481481481481, 0.333333333333], [-0.481481481481, -0.481481481481, 0.333333333333], [-0.444444444444, -0.481481481481, 0.333333333333], [-0.444444444444, -0.444444444444, 0.333333333333], [-0.37037037037, 0.37037037037, 0.37037037037], [-0.407407407407, 0.407407407407, 0.37037037037], [-0.444444444444, 0.444444444444, 0.37037037037], [-0.407407407407, 0.444444444444, 0.37037037037], [-0.481481481481, 0.481481481481, 0.37037037037], [-0.444444444444, 0.481481481481, 0.37037037037], [-0.481481481481, -0.481481481481, 0.37037037037], [-0.444444444444, -0.481481481481, 0.37037037037], [-0.407407407407, 0.407407407407, 0.407407407407], [-0.444444444444, 0.444444444444, 0.407407407407], [-0.481481481481, 0.481481481481, 0.407407407407], [-0.444444444444, 0.481481481481, 0.407407407407], [-0.481481481481, -0.481481481481, 0.407407407407], [-0.444444444444, 0.444444444444, 0.444444444444], [-0.481481481481, 0.481481481481, 0.444444444444], [-0.481481481481, -0.481481481481, 0.444444444444], [-0.481481481481, 0.481481481481, 0.481481481481]], "usershift": [0, 0, 0], "kpts_weights": [1.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 12.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 48.0, 24.0, 8.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 8.0, 24.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 8.0, 24.0, 24.0, 24.0, 6.0, 24.0, 48.0, 24.0, 24.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 8.0, 24.0, 6.0, 8.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 48.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 48.0, 24.0, 24.0, 48.0, 8.0, 6.0, 24.0, 24.0, 24.0, 24.0, 48.0, 24.0, 24.0, 6.0, 24.0, 24.0, 24.0, 24.0, 6.0, 24.0, 8.0, 6.0], "coord_type": null, "labels": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "static": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "structure_optimization": {"incar": {"ISIF": 3, "IBRION": 2, "NSW": 200, "NELM": 100, "ISPIN": 2, "ALGO": "Fast", "SYSTEM": "Rubyvaspy :: li", "ENCUT": 520, "LREAL": "Auto", "EDIFF": 2e-06, "PREC": "Accurate", "NELMIN": 3, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": true, "ICHARG": 1, "NPAR": 1, "MAGMOM": [0.6], "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.8397751085, 0.0, -1.0040121181], [-1.4198875542, 2.459317385, -1.0040121181], [0.0, 0.0, 3.0120363544]], "a": 3.0120363543868183, "b": 3.0120363543667503, "c": 3.0120363544, "alpha": 109.47122063404177, "beta": 109.4712206339068, "gamma": 109.47122063425844, "volume": 21.035785676794504}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Poscar v1.1 :: 1 :: Li"}}}, "magnetism": {"total_magnetization": -0.0001077}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}]}, "nsites": 1, "elements": ["Li"], "nelements": 1, "composition": {"Li": 1.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "formula_anonymous": "A", "chemsys": "Li", "volume": 20.120701709953906, "density": 0.5728329778348671, "symmetry": {"symprec": 0.1, "source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}, "deprecated": false, "_bt": {"@module": "datetime", "@class": "datetime", "string": "2020-05-28 23:49:50.809000"}}] diff --git a/test_files/synth_doc.json b/test_files/synth_doc.json deleted file mode 100644 index 9ff3e8615..000000000 --- a/test_files/synth_doc.json +++ /dev/null @@ -1,283 +0,0 @@ -{ - "doi": "10.1039/C2CE25672J", - "paragraph_string": "Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Ut enim ad minim veniam, quis nostrud exercitation ullamco laboris nisi ut aliquip ex ea commodo consequat. Duis aute irure dolor in reprehenderit in voluptate velit esse cillum dolore eu fugiat nulla pariatur. Excepteur sint occaecat cupidatat non proident, sunt in culpa qui officia deserunt mollit anim id est laborum.", - "synthesis_type": "solid-state", - "reaction_string": "1 BiOCl + 1 Ca(NO3)2 + 2 [OH-] == 1 CaBiO2Cl + 1 H2O + 2 [NO3-]", - "reaction": { - "left_side": [ - { - "amount": "1", - "material": "Ca(NO3)2" - }, - { - "amount": "1", - "material": "BiOCl" - }, - { - "amount": "2", - "material": "[OH-]" - } - ], - "right_side": [ - { - "amount": "1", - "material": "CaBiO2Cl" - }, - { - "amount": "1", - "material": "H2O" - }, - { - "amount": "2", - "material": "[NO3-]" - } - ] - }, - "targets_formula": [ - "Ca1 Bi1 O2 Cl1" - ], - "target": { - "material_string": "CaBiO2Cl", - "material_name": "", - "material_formula": "CaBiO2Cl", - "phase": null, - "is_acronym": false, - "composition": [ - { - "formula": "CaBiO2Cl", - "amount": "1", - "elements": { - "Ca": "1", - "Bi": "1", - "O": "2", - "Cl": "1" - } - } - ], - "amounts_vars": {}, - "elements_vars": {}, - "additives": [], - "oxygen_deficiency": "None" - }, - "targets_formula_s": [ - "CaBiClO2" - ], - "precursors_formula_s": [ - "Ca(NO3)2", - "BiClO" - ], - "precursors_formula": [ - "Ca1 N2 O6", - "Bi1 O1 Cl1" - ], - "precursors": [ - { - "material_string": "Ca(NO3)2", - "material_name": "", - "material_formula": "Ca(NO3)2", - "phase": null, - "is_acronym": false, - "composition": [ - { - "formula": "Ca(NO3)2", - "amount": "1", - "elements": { - "N": "2", - "O": "6", - "Ca": "1" - } - } - ], - "amounts_vars": {}, - "elements_vars": {}, - "additives": [], - "oxygen_deficiency": "None" - }, - { - "material_string": "BiOCl", - "material_name": "", - "material_formula": "BiOCl", - "phase": null, - "is_acronym": false, - "composition": [ - { - "formula": "BiOCl", - "amount": "1", - "elements": { - "Bi": "1", - "O": "1", - "Cl": "1" - } - } - ], - "amounts_vars": {}, - "elements_vars": {}, - "additives": [], - "oxygen_deficiency": "None" - } - ], - "operations": [ - { - "type": "StartingSynthesis", - "token": "prepared", - "conditions": { - "heating_temperature": [], - "heating_time": [], - "heating_atmosphere": [], - "mixing_device": null, - "mixing_media": null - } - }, - { - "type": "MixingOperation", - "token": "mixed", - "conditions": { - "heating_temperature": [], - "heating_time": [], - "heating_atmosphere": [], - "mixing_device": null, - "mixing_media": null - } - }, - { - "type": "MixingOperation", - "token": "added", - "conditions": { - "heating_temperature": [], - "heating_time": [], - "heating_atmosphere": [], - "mixing_device": null, - "mixing_media": null - } - }, - { - "type": "MixingOperation", - "token": "stirred", - "conditions": { - "heating_temperature": [], - "heating_time": [ - { - "min_value": 5.0, - "max_value": 5.0, - "values": [ - 5.0 - ], - "units": "h" - } - ], - "heating_atmosphere": [], - "mixing_device": null, - "mixing_media": null - } - }, - { - "type": "MixingOperation", - "token": "washed", - "conditions": { - "heating_temperature": [], - "heating_time": [], - "heating_atmosphere": [], - "mixing_device": "water", - "mixing_media": null - } - }, - { - "type": "DryingOperation", - "token": "dried", - "conditions": { - "heating_temperature": [ - { - "min_value": 80.0, - "max_value": 80.0, - "values": [ - 80.0 - ], - "units": "°C" - } - ], - "heating_time": [], - "heating_atmosphere": [], - "mixing_device": null, - "mixing_media": null - } - }, - { - "type": "MixingOperation", - "token": "ground", - "conditions": { - "heating_temperature": [], - "heating_time": [], - "heating_atmosphere": [], - "mixing_device": "alumina", - "mixing_media": null - } - }, - { - "type": "HeatingOperation", - "token": "heated", - "conditions": { - "heating_temperature": [], - "heating_time": [ - { - "min_value": 12.0, - "max_value": 12.0, - "values": [ - 12.0 - ], - "units": "h" - } - ], - "heating_atmosphere": [ - "air" - ], - "mixing_device": null, - "mixing_media": null - } - }, - { - "type": "StartingSynthesis", - "token": "prepared", - "conditions": { - "heating_temperature": [], - "heating_time": [], - "heating_atmosphere": [], - "mixing_device": null, - "mixing_media": null - } - } - ], - "highlights": [ - { - "path": "paragraph_string", - "texts": [ - { - "value": "Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Ut enim ad minim veniam, quis nostrud exercitation ullamco laboris nisi ut aliquip ex ea commodo consequat. Duis aute irure dolor in reprehenderit in voluptate velit esse cillum dolore eu fugiat nulla pariatur. Excepteur sint occaecat cupidatat non proident, sunt in culpa qui officia deserunt mollit anim id est laborum", - "type": "text" - }, - { - "value": "silicon", - "type": "hit" - }, - { - "value": "Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Ut enim ad minim veniam, quis nostrud exercitation ullamco laboris nisi ut aliquip ex ea commodo consequat. Duis aute irure dolor in reprehenderit in voluptate velit esse cillum dolore eu fugiat nulla pariatur. Excepteur sint occaecat cupidatat non proident, sunt in culpa qui officia deserunt mollit anim id est laborum", - "type": "text" - } - ], - "score": 1.2976155281066895 - }, - { - "path": "paragraph_string", - "texts": [ - { - "value": "Silicon", - "type": "hit" - }, - { - "value": " powder was ...", - "type": "text" - } - ], - "score": 1.85878586769104 - } - ] -} diff --git a/test_files/synth_doc_adaptor.json b/test_files/synth_doc_adaptor.json deleted file mode 100644 index 8f4b7d671..000000000 --- a/test_files/synth_doc_adaptor.json +++ /dev/null @@ -1,237 +0,0 @@ -{ - "src": { - "synthesis_type": "solid-state", - "targets_string": [ - "Li4Ti5O12" - ], - "reaction": { - "element_substitution": {}, - "left_side": [ - { - "material": "TiO2", - "amount": "5" - }, - { - "material": "Li2CO3", - "amount": "2" - } - ], - "right_side": [ - { - "material": "Li4Ti5O12", - "amount": "1" - }, - { - "material": "CO2", - "amount": "2" - } - ] - }, - "reaction_string": "2 Li2CO3 + 5 TiO2 == 1 Li4Ti5O12 + 2 CO2", - "doi": "10.1149/1.1383553", - "operations": [ - { - "type": "StartingSynthesis", - "token": "fabricated", - "conditions": { - "heating_temperature": null, - "heating_time": null, - "heating_atmosphere": null, - "mixing_device": null, - "mixing_media": null - } - } - ], - "target": { - "material_string": "Li4Ti5O12", - "material_name": "", - "material_formula": "Li4Ti5O12", - "phase": null, - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "Li4Ti5O12", - "amount": "1", - "elements": { - "Li": "4", - "Ti": "5", - "O": "12" - } - } - ] - }, - "precursors": [ - { - "material_string": "TiO2", - "material_name": "", - "material_formula": "TiO2", - "phase": null, - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "TiO2", - "amount": "1", - "elements": { - "Ti": "1", - "O": "2" - } - } - ] - }, - { - "material_string": "Li2CO3", - "material_name": "", - "material_formula": "Li2CO3", - "phase": null, - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "Li2CO3", - "amount": "1", - "elements": { - "Li": "2", - "C": "1", - "O": "3" - } - } - ] - } - ], - "paragraph_string": "High surface area activated carbons were obtained <...> ce of these materials will be published elsewhere." - }, - "product": { - "synthesis_type": "solid-state", - "reaction": { - "element_substitution": {}, - "left_side": [ - { - "material": "TiO2", - "amount": "5" - }, - { - "material": "Li2CO3", - "amount": "2" - } - ], - "right_side": [ - { - "material": "Li4Ti5O12", - "amount": "1" - }, - { - "material": "CO2", - "amount": "2" - } - ] - }, - "reaction_string": "2 Li2CO3 + 5 TiO2 == 1 Li4Ti5O12 + 2 CO2", - "doi": "10.1149/1.1383553", - "operations": [ - { - "type": "StartingSynthesis", - "token": "fabricated", - "conditions": { - "heating_temperature": null, - "heating_time": null, - "heating_atmosphere": null, - "mixing_device": null, - "mixing_media": null - } - } - ], - "target": { - "material_string": "Li4Ti5O12", - "material_name": "", - "material_formula": "Li4Ti5O12", - "phase": null, - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "Li4Ti5O12", - "amount": "1", - "elements": { - "Li": "4", - "Ti": "5", - "O": "12" - } - } - ] - }, - "precursors": [ - { - "material_string": "TiO2", - "material_name": "", - "material_formula": "TiO2", - "phase": null, - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "TiO2", - "amount": "1", - "elements": { - "Ti": "1", - "O": "2" - } - } - ] - }, - { - "material_string": "Li2CO3", - "material_name": "", - "material_formula": "Li2CO3", - "phase": null, - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "Li2CO3", - "amount": "1", - "elements": { - "Li": "2", - "C": "1", - "O": "3" - } - } - ] - } - ], - "paragraph_string": "High surface area activated carbons were obtained <...> ce of these materials will be published elsewhere.", - "targets_formula": [ - "Li4 Ti5 O12" - ], - "targets_formula_s": [ - "Li4Ti5O12" - ], - "precursors_formula": [ - "Ti1 O2", - "Li2 C1 O3" - ], - "precursors_formula_s": [ - "TiO2", - "Li2CO3" - ] - } -} diff --git a/test_files/synth_doc_adaptor_synpro.json b/test_files/synth_doc_adaptor_synpro.json deleted file mode 100644 index b305a7862..000000000 --- a/test_files/synth_doc_adaptor_synpro.json +++ /dev/null @@ -1,477 +0,0 @@ -{ - "src": { - "_id": "ID", - "synthesis_type": "solid-state", - "targets_string": [ - "Nb9PO25" - ], - "reaction": { - "left": [ - { - "material": "Nb2O5", - "amount": "4.5" - }, - { - "material": "NH4H2PO4", - "amount": "1" - } - ], - "right": [ - { - "material": "PNb9O25", - "amount": "1" - }, - { - "material": "H2O", - "amount": "1.5" - }, - { - "material": "NH3", - "amount": "1" - } - ], - "element_substitution": {}, - "thermo": [ - { - "amts_vars": null, - "reaction": "4.5 Nb2O5 + 1 H6N1O4P1 == 1.0 Nb9O25P1 + 1.5 H2O1 + 1 H3N1", - "dGrxn": { - "2000": -0.0405 - }, - "target": "Nb9O25P1" - } - ] - }, - "reaction_string": "1 NH4H2PO4 + 4.5 Nb2O5 == 1 PNb9O25 + 1.5 H2O + 1 NH3", - "doi": [ - "10.1149/1.1455647" - ], - "ext_abstract": [ - "Among the large family of Wadsley-Roth-type phases...", - "...", - "... of V5+ to V2+ (in tetrahedral coordination) takes place." - ], - "ext_paragraph": [ - "PNb9O25 was easily obtained by a solid-state reaction in air...", - "...", - "The program FullProf was used for crystal structure determination from the Rietveld method." - ], - "data_per_sentence": [ - "OTHER DATA" - ], - "other_materials": [ - { - "material_string": "ammonium phosphate", - "material_name": "ammonium phosphate", - "material_formula": "(NH4)3PO4", - "phase": "", - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "(NH4)3PO4", - "amount": "1", - "elements": { - "N": "3", - "H": "12", - "P": "1", - "O": "4" - }, - "species": { - "NH4": "3", - "PO4": "1" - } - } - ] - }, - { - "material_string": "water", - "material_name": "water", - "material_formula": "H2O", - "phase": null, - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "H2O", - "amount": "1", - "elements": { - "H": "2", - "O": "1" - }, - "species": { - "H2O": "1" - } - } - ] - } - ], - "operations": [ - { - "string": "heated", - "i": [ - 1, - 4 - ], - "type": "HeatingOperation", - "attributes": { - "temperature": [ - { - "min": null, - "max": 350.0, - "values": [ - 350.0 - ], - "tok_ids": [ - 19 - ], - "units": "°C" - } - ], - "time": [ - { - "max": 3.0, - "min": 3.0, - "values": [ - 3.0 - ], - "tok_ids": [ - 23 - ], - "units": "h" - } - ], - "environment": [ - "", - "" - ] - } - } - ], - "target": { - "material_string": "PNb9O25", - "material_name": "", - "material_formula": "PNb9O25", - "phase": "", - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "PNb9O25", - "amount": "1", - "elements": { - "P": "1", - "Nb": "9", - "O": "25" - }, - "species": { - "P": "1", - "Nb": "9", - "O": "25" - }, - "valence": [ - { - "valence": { - "Nb": 5.0, - "P": 5.0, - "O": -2.0 - }, - "amounts_vars": [ - {} - ], - "elements_vars": {} - } - ] - } - ], - "thermo": [ - { - "interpolation": "1.0 Nb9PO25", - "mp_ids": [ - "mp-17677" - ], - "Hf": -3.0321, - "Hd": 0.0288, - "T": { - "2000": { - "dGf": -1.8578, - "dGd": 0.0429 - } - }, - "formula": "Nb9O25P1", - "amts_vars": null - } - ] - }, - "precursors": [ - { - "material_string": "Nb2O5", - "material_name": "", - "material_formula": "Nb2O5", - "phase": "", - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "Nb2O5", - "amount": "1", - "elements": { - "Nb": "2", - "O": "5" - }, - "species": { - "Nb": "2", - "O": "5" - }, - "valence": [ - { - "valence": { - "Nb": 5.0, - "O": -2.0 - }, - "amounts_vars": [ - {} - ], - "elements_vars": {} - } - ] - } - ], - "thermo": [ - { - "interpolation": "1.0 Nb2O5", - "mp_ids": [ - "mp-1201852" - ], - "Hf": -3.0892, - "Hd": -0.1129, - "T": { - "2000": { - "dGf": -1.9428, - "dGd": -0.0777 - } - }, - "formula": "Nb2O5", - "amts_vars": null - } - ] - }, - { - "material_string": "NH4H2PO4", - "material_name": "", - "material_formula": "NH4H2PO4", - "phase": "", - "additives": [], - "oxygen_deficiency": null, - "is_acronym": false, - "amounts_vars": {}, - "elements_vars": {}, - "composition": [ - { - "formula": "NH4H2PO4", - "amount": "1", - "elements": { - "N": "1", - "H": "6", - "P": "1", - "O": "4" - }, - "species": { - "NH4": "1", - "H2PO4": "1" - }, - "valence": [ - { - "valence": { - "P": 5.0, - "H": 1.0, - "N": -3.0, - "O": -2.0 - }, - "amounts_vars": [ - {} - ], - "elements_vars": {} - } - ] - } - ], - "thermo": [ - { - "interpolation": "1.0 PH6NO4", - "mp_ids": [ - "mp-1220029" - ], - "Hf": -1.5617, - "Hd": -0.0097, - "T": { - "2000": { - "dGf": -0.2212, - "dGd": 0.1747 - } - }, - "formula": "H6N1O4P1", - "amts_vars": null - } - ] - } - ] - }, - "product": { - "doi": "['10.1149/1.1455647']", - "paragraph_string": "PNb9O25 was easily obtained by a solid-state reaction in air... ... The program FullProf was used for crystal structure determination from the Rietveld method.", - "synthesis_type": "solid-state", - "reaction_string": "1 NH4H2PO4 + 4.5 Nb2O5 == 1 PNb9O25 + 1.5 H2O + 1 NH3", - "reaction": { - "left_side": [ - { - "amount": "4.5", - "material": "Nb2O5" - }, - { - "amount": "1", - "material": "NH4H2PO4" - } - ], - "right_side": [ - { - "amount": "1", - "material": "PNb9O25" - }, - { - "amount": "1.5", - "material": "H2O" - }, - { - "amount": "1", - "material": "NH3" - } - ] - }, - "targets_formula": [ - "Nb9 P1 O25" - ], - "target": { - "material_string": "PNb9O25", - "material_name": "", - "material_formula": "PNb9O25", - "phase": null, - "is_acronym": false, - "composition": [ - { - "formula": "PNb9O25", - "amount": "1", - "elements": { - "P": "1", - "Nb": "9", - "O": "25" - } - } - ], - "amounts_vars": {}, - "elements_vars": {}, - "additives": [], - "oxygen_deficiency": null - }, - "targets_formula_s": [ - "Nb9PO25" - ], - "precursors_formula_s": [ - "Nb2O5", - "PH6NO4" - ], - "precursors_formula": [ - "Nb2 O5", - "P1 H6 N1 O4" - ], - "precursors": [ - { - "material_string": "Nb2O5", - "material_name": "", - "material_formula": "Nb2O5", - "phase": null, - "is_acronym": false, - "composition": [ - { - "formula": "Nb2O5", - "amount": "1", - "elements": { - "Nb": "2", - "O": "5" - } - } - ], - "amounts_vars": {}, - "elements_vars": {}, - "additives": [], - "oxygen_deficiency": null - }, - { - "material_string": "NH4H2PO4", - "material_name": "", - "material_formula": "NH4H2PO4", - "phase": null, - "is_acronym": false, - "composition": [ - { - "formula": "NH4H2PO4", - "amount": "1", - "elements": { - "N": "1", - "H": "6", - "P": "1", - "O": "4" - } - } - ], - "amounts_vars": {}, - "elements_vars": {}, - "additives": [], - "oxygen_deficiency": null - } - ], - "operations": [ - { - "type": "HeatingOperation", - "token": "heated", - "conditions": { - "heating_temperature": [ - { - "min_value": null, - "max_value": 350.0, - "values": [ - 350.0 - ], - "units": "\u00b0C" - } - ], - "heating_time": [ - { - "min_value": 3.0, - "max_value": 3.0, - "values": [ - 3.0 - ], - "units": "h" - } - ], - "heating_atmosphere": [], - "mixing_device": null, - "mixing_media": null - } - } - ] - } -} diff --git a/test_files/tasks_Li_Fe_V.json b/test_files/tasks_Li_Fe_V.json deleted file mode 100644 index 42efaaff0..000000000 --- a/test_files/tasks_Li_Fe_V.json +++ /dev/null @@ -1 +0,0 @@ -[{"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc77a302e927b78dbe28e59"}, "dir_name": "mc0659.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2017-01-20-00-00-23-395173/launcher_2017-04-07-15-10-42-992518", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 3, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 3e-06, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[13, 13, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.07692308, 0.0, 0.0], "genvec2": [0.0, 0.07692308, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00045517}, {"abc": [0.07692308, 0.0, 0.0], "weight": 0.002731}, {"abc": [0.15384615, 0.0, 0.0], "weight": 0.002731}, {"abc": [0.23076923, 0.0, 0.0], "weight": 0.002731}, {"abc": [0.30769231, -0.0, 0.0], "weight": 0.002731}, {"abc": [0.38461538, -0.0, 0.0], "weight": 0.002731}, {"abc": [0.46153846, 0.0, 0.0], "weight": 0.002731}, {"abc": [0.07692308, 0.07692308, 0.0], "weight": 0.002731}, {"abc": [0.15384615, 0.07692308, 0.0], "weight": 0.00546199}, {"abc": [0.23076923, 0.07692308, 0.0], "weight": 0.00546199}, {"abc": [0.30769231, 0.07692308, 0.0], "weight": 0.00546199}, {"abc": [0.38461538, 0.07692308, 0.0], "weight": 0.00546199}, {"abc": [0.46153846, 0.07692308, 0.0], "weight": 0.00546199}, {"abc": [-0.46153846, 0.07692308, -0.0], "weight": 0.00546199}, {"abc": [-0.38461538, 0.07692308, -0.0], "weight": 0.00546199}, {"abc": [-0.30769231, 0.07692308, 0.0], "weight": 0.00546199}, {"abc": [-0.23076923, 0.07692308, -0.0], "weight": 0.00546199}, {"abc": [-0.15384615, 0.07692308, -0.0], "weight": 0.00546199}, {"abc": [-0.07692308, 0.07692308, 0.0], "weight": 0.002731}, {"abc": [0.15384615, 0.15384615, 0.0], "weight": 0.002731}, {"abc": [0.23076923, 0.15384615, 0.0], "weight": 0.00546199}, {"abc": [0.30769231, 0.15384615, 0.0], "weight": 0.00546199}, {"abc": [0.38461538, 0.15384615, 0.0], "weight": 0.00546199}, {"abc": [0.46153846, 0.15384615, 0.0], "weight": 0.00546199}, {"abc": [-0.46153846, 0.15384615, -0.0], "weight": 0.00546199}, {"abc": [-0.38461538, 0.15384615, -0.0], "weight": 0.00546199}, {"abc": [-0.30769231, 0.15384615, 0.0], "weight": 0.00546199}, {"abc": [-0.23076923, 0.15384615, 0.0], "weight": 0.00546199}, {"abc": [-0.15384615, 0.15384615, 0.0], "weight": 0.002731}, {"abc": [0.23076923, 0.23076923, 0.0], "weight": 0.002731}, {"abc": [0.30769231, 0.23076923, 0.0], "weight": 0.00546199}, {"abc": [0.38461538, 0.23076923, 0.0], "weight": 0.00546199}, {"abc": [0.46153846, 0.23076923, 0.0], "weight": 0.00546199}, {"abc": [-0.46153846, 0.23076923, -0.0], "weight": 0.00546199}, {"abc": [-0.38461538, 0.23076923, -0.0], "weight": 0.00546199}, {"abc": [-0.30769231, 0.23076923, 0.0], "weight": 0.00546199}, {"abc": [-0.23076923, 0.23076923, 0.0], "weight": 0.002731}, {"abc": [0.30769231, 0.30769231, 0.0], "weight": 0.002731}, {"abc": [0.38461538, 0.30769231, 0.0], "weight": 0.00546199}, {"abc": [0.46153846, 0.30769231, 0.0], "weight": 0.00546199}, {"abc": [-0.46153846, 0.30769231, -0.0], "weight": 0.00546199}, {"abc": [-0.38461538, 0.30769231, -0.0], "weight": 0.00546199}, {"abc": [-0.30769231, 0.30769231, 0.0], "weight": 0.002731}, {"abc": [0.38461538, 0.38461538, 0.0], "weight": 0.002731}, {"abc": [0.46153846, 0.38461538, 0.0], "weight": 0.00546199}, {"abc": [-0.46153846, 0.38461538, -0.0], "weight": 0.00546199}, {"abc": [-0.38461538, 0.38461538, 0.0], "weight": 0.002731}, {"abc": [0.46153846, 0.46153846, 0.0], "weight": 0.002731}, {"abc": [-0.46153846, 0.46153846, 0.0], "weight": 0.002731}, {"abc": [0.07692308, 0.07692308, 0.07692308], "weight": 0.00091033}, {"abc": [0.15384615, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [0.23076923, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [0.30769231, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [0.38461538, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [0.46153846, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [-0.46153846, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [-0.38461538, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [-0.30769231, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [-0.23076923, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [-0.15384615, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [-0.07692308, 0.07692308, 0.07692308], "weight": 0.002731}, {"abc": [0.15384615, 0.15384615, 0.07692308], "weight": 0.002731}, {"abc": [0.23076923, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [0.30769231, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [0.38461538, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [0.46153846, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [-0.46153846, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [-0.38461538, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [-0.30769231, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [-0.07692308, 0.15384615, 0.07692308], "weight": 0.00546199}, {"abc": [0.23076923, 0.23076923, 0.07692308], "weight": 0.002731}, {"abc": [0.30769231, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [0.38461538, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [0.46153846, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [-0.46153846, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [-0.38461538, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [-0.30769231, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [-0.07692308, 0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [0.30769231, 0.30769231, 0.07692308], "weight": 0.002731}, {"abc": [0.38461538, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [0.46153846, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.46153846, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.38461538, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.30769231, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.07692308, 0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [0.38461538, 0.38461538, 0.07692308], "weight": 0.002731}, {"abc": [0.46153846, 0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.46153846, 0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.38461538, 0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.30769231, 0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, 0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, 0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.07692308, 0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [0.46153846, 0.46153846, 0.07692308], "weight": 0.002731}, {"abc": [-0.46153846, 0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.38461538, 0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.30769231, 0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, 0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, 0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.07692308, 0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.46153846, -0.46153846, 0.07692308], "weight": 0.002731}, {"abc": [-0.38461538, -0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.30769231, -0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, -0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, -0.46153846, 0.07692308], "weight": 0.00546199}, {"abc": [-0.38461538, -0.38461538, 0.07692308], "weight": 0.002731}, {"abc": [-0.30769231, -0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, -0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, -0.38461538, 0.07692308], "weight": 0.00546199}, {"abc": [-0.30769231, -0.30769231, 0.07692308], "weight": 0.002731}, {"abc": [-0.23076923, -0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, -0.30769231, 0.07692308], "weight": 0.00546199}, {"abc": [-0.23076923, -0.23076923, 0.07692308], "weight": 0.002731}, {"abc": [-0.15384615, -0.23076923, 0.07692308], "weight": 0.00546199}, {"abc": [-0.15384615, -0.15384615, 0.07692308], "weight": 0.002731}, {"abc": [0.15384615, 0.15384615, 0.15384615], "weight": 0.00091033}, {"abc": [0.23076923, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [0.30769231, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [0.38461538, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [0.46153846, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [-0.46153846, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [-0.38461538, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [-0.30769231, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [-0.23076923, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [-0.15384615, 0.15384615, 0.15384615], "weight": 0.002731}, {"abc": [0.23076923, 0.23076923, 0.15384615], "weight": 0.002731}, {"abc": [0.30769231, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [0.38461538, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [0.46153846, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [-0.46153846, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [-0.38461538, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [-0.30769231, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [-0.23076923, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [-0.15384615, 0.23076923, 0.15384615], "weight": 0.00546199}, {"abc": [0.30769231, 0.30769231, 0.15384615], "weight": 0.002731}, {"abc": [0.38461538, 0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [0.46153846, 0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [-0.46153846, 0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [-0.38461538, 0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [-0.30769231, 0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [-0.23076923, 0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [-0.15384615, 0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [0.38461538, 0.38461538, 0.15384615], "weight": 0.002731}, {"abc": [0.46153846, 0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [-0.46153846, 0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [-0.38461538, 0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [-0.30769231, 0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [-0.23076923, 0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [-0.15384615, 0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [0.46153846, 0.46153846, 0.15384615], "weight": 0.002731}, {"abc": [-0.46153846, 0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.38461538, 0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.30769231, 0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.23076923, 0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.15384615, 0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.46153846, -0.46153846, 0.15384615], "weight": 0.002731}, {"abc": [-0.38461538, -0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.30769231, -0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.23076923, -0.46153846, 0.15384615], "weight": 0.00546199}, {"abc": [-0.38461538, -0.38461538, 0.15384615], "weight": 0.002731}, {"abc": [-0.30769231, -0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [-0.23076923, -0.38461538, 0.15384615], "weight": 0.00546199}, {"abc": [-0.30769231, -0.30769231, 0.15384615], "weight": 0.002731}, {"abc": [-0.23076923, -0.30769231, 0.15384615], "weight": 0.00546199}, {"abc": [-0.23076923, -0.23076923, 0.15384615], "weight": 0.002731}, {"abc": [0.23076923, 0.23076923, 0.23076923], "weight": 0.00091033}, {"abc": [0.30769231, 0.23076923, 0.23076923], "weight": 0.002731}, {"abc": [0.38461538, 0.23076923, 0.23076923], "weight": 0.002731}, {"abc": [0.46153846, 0.23076923, 0.23076923], "weight": 0.002731}, {"abc": [-0.46153846, 0.23076923, 0.23076923], "weight": 0.002731}, {"abc": [-0.38461538, 0.23076923, 0.23076923], "weight": 0.002731}, {"abc": [-0.30769231, 0.23076923, 0.23076923], "weight": 0.002731}, {"abc": [-0.23076923, 0.23076923, 0.23076923], "weight": 0.002731}, {"abc": [0.30769231, 0.30769231, 0.23076923], "weight": 0.002731}, {"abc": [0.38461538, 0.30769231, 0.23076923], "weight": 0.00546199}, {"abc": [0.46153846, 0.30769231, 0.23076923], "weight": 0.00546199}, {"abc": [-0.46153846, 0.30769231, 0.23076923], "weight": 0.00546199}, {"abc": [-0.38461538, 0.30769231, 0.23076923], "weight": 0.00546199}, {"abc": [-0.30769231, 0.30769231, 0.23076923], "weight": 0.00546199}, {"abc": [-0.23076923, 0.30769231, 0.23076923], "weight": 0.00546199}, {"abc": [0.38461538, 0.38461538, 0.23076923], "weight": 0.002731}, {"abc": [0.46153846, 0.38461538, 0.23076923], "weight": 0.00546199}, {"abc": [-0.46153846, 0.38461538, 0.23076923], "weight": 0.00546199}, {"abc": [-0.38461538, 0.38461538, 0.23076923], "weight": 0.00546199}, {"abc": [-0.30769231, 0.38461538, 0.23076923], "weight": 0.00546199}, {"abc": [-0.23076923, 0.38461538, 0.23076923], "weight": 0.00546199}, {"abc": [0.46153846, 0.46153846, 0.23076923], "weight": 0.002731}, {"abc": [-0.46153846, 0.46153846, 0.23076923], "weight": 0.00546199}, {"abc": [-0.38461538, 0.46153846, 0.23076923], "weight": 0.00546199}, {"abc": [-0.30769231, 0.46153846, 0.23076923], "weight": 0.00546199}, {"abc": [-0.23076923, 0.46153846, 0.23076923], "weight": 0.00546199}, {"abc": [-0.46153846, -0.46153846, 0.23076923], "weight": 0.002731}, {"abc": [-0.38461538, -0.46153846, 0.23076923], "weight": 0.00546199}, {"abc": [-0.30769231, -0.46153846, 0.23076923], "weight": 0.00546199}, {"abc": [-0.38461538, -0.38461538, 0.23076923], "weight": 0.002731}, {"abc": [-0.30769231, -0.38461538, 0.23076923], "weight": 0.00546199}, {"abc": [-0.30769231, -0.30769231, 0.23076923], "weight": 0.002731}, {"abc": [0.30769231, 0.30769231, 0.30769231], "weight": 0.00091033}, {"abc": [0.38461538, 0.30769231, 0.30769231], "weight": 0.002731}, {"abc": [0.46153846, 0.30769231, 0.30769231], "weight": 0.002731}, {"abc": [-0.46153846, 0.30769231, 0.30769231], "weight": 0.002731}, {"abc": [-0.38461538, 0.30769231, 0.30769231], "weight": 0.002731}, {"abc": [-0.30769231, 0.30769231, 0.30769231], "weight": 0.002731}, {"abc": [0.38461538, 0.38461538, 0.30769231], "weight": 0.002731}, {"abc": [0.46153846, 0.38461538, 0.30769231], "weight": 0.00546199}, {"abc": [-0.46153846, 0.38461538, 0.30769231], "weight": 0.00546199}, {"abc": [-0.38461538, 0.38461538, 0.30769231], "weight": 0.00546199}, {"abc": [-0.30769231, 0.38461538, 0.30769231], "weight": 0.00546199}, {"abc": [0.46153846, 0.46153846, 0.30769231], "weight": 0.002731}, {"abc": [-0.46153846, 0.46153846, 0.30769231], "weight": 0.00546199}, {"abc": [-0.38461538, 0.46153846, 0.30769231], "weight": 0.00546199}, {"abc": [-0.30769231, 0.46153846, 0.30769231], "weight": 0.00546199}, {"abc": [-0.46153846, -0.46153846, 0.30769231], "weight": 0.002731}, {"abc": [-0.38461538, -0.46153846, 0.30769231], "weight": 0.00546199}, {"abc": [-0.38461538, -0.38461538, 0.30769231], "weight": 0.002731}, {"abc": [0.38461538, 0.38461538, 0.38461538], "weight": 0.00091033}, {"abc": [0.46153846, 0.38461538, 0.38461538], "weight": 0.002731}, {"abc": [-0.46153846, 0.38461538, 0.38461538], "weight": 0.002731}, {"abc": [-0.38461538, 0.38461538, 0.38461538], "weight": 0.002731}, {"abc": [0.46153846, 0.46153846, 0.38461538], "weight": 0.002731}, {"abc": [-0.46153846, 0.46153846, 0.38461538], "weight": 0.00546199}, {"abc": [-0.38461538, 0.46153846, 0.38461538], "weight": 0.00546199}, {"abc": [-0.46153846, -0.46153846, 0.38461538], "weight": 0.002731}, {"abc": [0.46153846, 0.46153846, 0.46153846], "weight": 0.00091033}, {"abc": [-0.46153846, 0.46153846, 0.46153846], "weight": 0.002731}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 3e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 10, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": 1, "SIGMA": 0.2, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 60, "NGY": 60, "NGZ": 60, "NGXF": 120, "NGYF": 120, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.06691069, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[0.4203042441502697, -2.0508045677051006, -1.142325012544729], [0.4203042441502697, 2.050804567705101, -1.1423250125447293], [0.0, 0.0, 2.3848191766674876]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -5.71011274, "e_wo_entrp": -5.70897918, "e_0_energy": -0.00340069, "forces": [[-0.00920474, 0.0, -0.00109686], [0.00920474, 0.0, 0.00109686], [-0.0, 0.0, 0.0]], "stress": [[2.75230044, -0.0, 0.40556009], [0.0, -0.65111323, 0.0], [0.40556009, 0.0, -0.60278539]], "electronic_steps": [{"alphaZ": 12.36769359, "ewald": -206.45493861, "hartreedc": -97.49280902, "XCdc": 32.85177931, "pawpsdc": 170.82917016, "pawaedc": -241.97183227, "eentropy": -0.00012007, "bandstr": -259.99292605, "atom": 608.35147871, "e_fr_energy": 18.48749575, "e_wo_entrp": 18.48761582, "e_0_energy": 18.48753578}, {"e_fr_energy": -4.34411427, "e_wo_entrp": -4.34444818, "e_0_energy": -4.34422557}, {"e_fr_energy": -4.7859548, "e_wo_entrp": -4.78708119, "e_0_energy": -4.78633026}, {"e_fr_energy": -4.79098457, "e_wo_entrp": -4.79210885, "e_0_energy": -4.79135933}, {"e_fr_energy": -4.79113701, "e_wo_entrp": -4.79226128, "e_0_energy": -4.79151177}, {"e_fr_energy": -5.4067589, "e_wo_entrp": -5.4075786, "e_0_energy": -5.40703213}, {"e_fr_energy": -5.66646603, "e_wo_entrp": -5.66761212, "e_0_energy": -5.66684806}, {"e_fr_energy": -5.69949761, "e_wo_entrp": -5.69831564, "e_0_energy": -5.69910362}, {"e_fr_energy": -5.70915004, "e_wo_entrp": -5.7060319, "e_0_energy": -5.70811066}, {"e_fr_energy": -5.70996606, "e_wo_entrp": -5.70661365, "e_0_energy": -5.70884859}, {"e_fr_energy": -5.7100868, "e_wo_entrp": -5.70669321, "e_0_energy": -5.7089556}, {"e_fr_energy": -5.7101133, "e_wo_entrp": -5.70671242, "e_0_energy": -5.70897967}, {"alphaZ": 12.36769359, "ewald": -206.45493861, "hartreedc": -96.16954512, "XCdc": 32.52017006, "pawpsdc": 182.46088556, "pawaedc": -253.78195243, "eentropy": -0.00340069, "bandstr": -285.00050381, "atom": 608.35147871, "e_fr_energy": -5.71011274, "e_wo_entrp": -5.70671205, "e_0_energy": -5.70897918}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}}], "efermi": -0.21676281, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "energy": -5.70897918, "energy_per_atom": -1.90299306, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2168, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.214}, {"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.214}, {"s": 2.106, "p": 0.107, "d": 0.0, "tot": 2.214}], "total_magnetization": 0.0012478, "nelect": 8.9999996, "is_stopped": false}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2017-01-20-00-00-23-395173/launcher_2017-04-07-15-10-42-992518", "completed_at": "2017-04-07 08:23:16.480125", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59815cf93a5f027cd5bdf468"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59815cf93a5f027cd5bdf46b"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 58112.0, "Elapsed time (sec)": 332.173, "System time (sec)": 165.521, "User time (sec)": 164.981, "Total CPU time used (sec)": 330.502, "cores": "32"}, "overall": {"Total CPU time used (sec)": 330.502, "User time (sec)": 164.981, "System time (sec)": 165.521, "Elapsed time (sec)": 332.173}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2017-04-07 08:23:16.480125", "nsites": 3, "composition_unit_cell": {"Li": 3.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 3e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 10, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": 1, "SIGMA": 0.2, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 60, "NGY": 60, "NGZ": 60, "NGXF": 120, "NGYF": 120, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.06691069, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 3e-06, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, -9.652918680558286e-17, 2.0496224304140003], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.9095586485539995, -2.7485972447394147e-17, 0.585036569586], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5730945612927296, "energy": -5.70897918, "energy_per_atom": -1.90299306, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "R-3m", "number": 166, "point_group": "-3m", "crystal_system": "trigonal", "hall": "-R 3 2\""}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2017-04-07 08:23:16"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"constrain_total_magmom": false, "force_gamma": false, "@module": "pymatgen.io.vasp.sets", "potcar_functional": null, "@class": "DictVaspInputSet", "sort_structure": true, "hubbard_off": false, "name": "MP", "reduce_structure": null, "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "LDAUPRINT": 1, "MAGMOM": {"Ni": 5, "Mn4+": 3, "Co": 5, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Ce": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Eu": 10, "Cr": 5, "V": 5, "Co4+": 1}, "LDAUL": {"O": {"Ni": 2, "Co": 2, "Mo": 2, "Mn": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2}, "F": {"Ni": 2, "Co": 2, "Mo": 2, "Mn": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2}}, "LDAUJ": {"O": {"Ni": 0, "Co": 0, "Mo": 0, "Mn": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0}, "F": {"Ni": 0, "Co": 0, "Mo": 0, "Mn": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"O": {"Ni": 6.2, "Co": 3.32, "Mo": 4.38, "Mn": 3.9, "Fe": 5.3, "W": 6.2, "V": 3.25, "Cr": 3.7}, "F": {"Ni": 6.2, "Co": 3.32, "Mo": 4.38, "Mn": 3.9, "Fe": 5.3, "W": 6.2, "V": 3.25, "Cr": 3.7}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": 11}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re_pv", "Rb": "Rb_sv", "Rh": "Rh_pv", "Be": "Be_sv", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os_pv", "Ge": "Ge_d", "Gd": "Gd", "Ga": "Ga_d", "Pr": "Pr_3", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb_d", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm_3", "Ho": "Ho_3", "Hf": "Hf_pv", "Hg": "Hg", "He": "He", "Mg": "Mg_pv", "K": "K_sv", "Mn": "Mn_pv", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr_sv", "Er": "Er_3", "Ni": "Ni_pv", "Na": "Na_pv", "Nb": "Nb_pv", "Nd": "Nd_3", "Ne": "Ne", "Np": "Np", "Fe": "Fe_pv", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr_pv", "Cu": "Cu_pv", "La": "La", "Li": "Li_sv", "Tl": "Tl_d", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti_pv", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc_pv", "Ta": "Ta_pv", "Yb": "Yb_2", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In_d", "Mo": "Mo_pv"}}, "ediff_per_atom": true}, "gamma_vasp_cmd": ["srun", "-n", "32", "gvasp"], "vasp_cmd": ["srun", "-n", "32", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 3e-06, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6], "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[13, 13, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1018351", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe6786a"}, "dir_name": "mc0643.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-31-713669/launcher_2018-03-20-10-19-22-725791", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185753, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-31-713669/launcher_2018-03-20-10-19-22-725791", "completed_at": "2018-03-20 03:20:07.308633", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32784.0, "Elapsed time (sec)": 43.539, "System time (sec)": 0.797, "User time (sec)": 42.512, "Total CPU time used (sec)": 43.308, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.308, "User time (sec)": 42.512, "System time (sec)": 0.797, "Elapsed time (sec)": 43.539}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:20:07.308633", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:20:07"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1055934", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67877"}, "dir_name": "mc0605.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-52-665116/launcher_2018-03-20-10-30-25-467746", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185723, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-52-665116/launcher_2018-03-20-10-30-25-467746", "completed_at": "2018-03-20 03:31:10.417485", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33132.0, "Elapsed time (sec)": 43.868, "System time (sec)": 0.869, "User time (sec)": 42.752, "Total CPU time used (sec)": 43.62, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.62, "User time (sec)": 42.752, "System time (sec)": 0.869, "Elapsed time (sec)": 43.868}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:31:10.417485", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:31:10"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1055978", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe6787e"}, "dir_name": "mc0806.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-10-33-16-171126", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185736, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-10-33-16-171126", "completed_at": "2018-03-20 03:34:00.822811", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33028.0, "Elapsed time (sec)": 43.556, "System time (sec)": 0.824, "User time (sec)": 42.529, "Total CPU time used (sec)": 43.352, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.352, "User time (sec)": 42.529, "System time (sec)": 0.824, "Elapsed time (sec)": 43.556}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:34:00.822811", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:34:00"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1055986", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67894"}, "dir_name": "mc0605.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-52-665116/launcher_2018-03-20-10-38-44-801217", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 186833, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-52-665116/launcher_2018-03-20-10-38-44-801217", "completed_at": "2018-03-20 03:39:29.730994", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33064.0, "Elapsed time (sec)": 43.841, "System time (sec)": 0.825, "User time (sec)": 42.675, "Total CPU time used (sec)": 43.499, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.499, "User time (sec)": 42.675, "System time (sec)": 0.825, "Elapsed time (sec)": 43.841}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:39:29.730994", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:39:29"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056011", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe678a5"}, "dir_name": "mc0806.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-10-41-45-949314", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185756, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-10-41-45-949314", "completed_at": "2018-03-20 03:42:30.746848", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32928.0, "Elapsed time (sec)": 43.694, "System time (sec)": 0.806, "User time (sec)": 42.702, "Total CPU time used (sec)": 43.507, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.507, "User time (sec)": 42.702, "System time (sec)": 0.806, "Elapsed time (sec)": 43.694}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:42:30.746848", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:42:30"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056018", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe678c3"}, "dir_name": "mc0821.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-36-952937/launcher_2018-03-20-10-48-12-879878", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 183412, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[20, 20, 20]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05, 0.0, 0.0], "genvec2": [0.0, 0.05, 0.0], "genvec3": [0.0, 0.0, 0.05], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.000125}, {"abc": [0.05, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.1, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.15, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.2, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.25, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.3, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.35, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.4, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.45, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00075}, {"abc": [0.05, 0.05, -0.0], "weight": 0.003}, {"abc": [0.1, 0.05, 0.0], "weight": 0.006}, {"abc": [0.15, 0.05, 0.0], "weight": 0.006}, {"abc": [0.2, 0.05, 0.0], "weight": 0.006}, {"abc": [0.25, 0.05, 0.0], "weight": 0.006}, {"abc": [0.3, 0.05, 0.0], "weight": 0.006}, {"abc": [0.35, 0.05, 0.0], "weight": 0.006}, {"abc": [0.4, 0.05, 0.0], "weight": 0.006}, {"abc": [0.45, 0.05, 0.0], "weight": 0.006}, {"abc": [0.1, 0.1, -0.0], "weight": 0.003}, {"abc": [0.15, 0.1, 0.0], "weight": 0.006}, {"abc": [0.2, 0.1, 0.0], "weight": 0.006}, {"abc": [0.25, 0.1, 0.0], "weight": 0.006}, {"abc": [0.3, 0.1, 0.0], "weight": 0.006}, {"abc": [0.35, 0.1, 0.0], "weight": 0.006}, {"abc": [0.4, 0.1, 0.0], "weight": 0.006}, {"abc": [0.45, 0.1, 0.0], "weight": 0.003}, {"abc": [0.15, 0.15, 0.0], "weight": 0.003}, {"abc": [0.2, 0.15, -0.0], "weight": 0.006}, {"abc": [0.25, 0.15, 0.0], "weight": 0.006}, {"abc": [0.3, 0.15, -0.0], "weight": 0.006}, {"abc": [0.35, 0.15, 0.0], "weight": 0.006}, {"abc": [0.4, 0.15, 0.0], "weight": 0.006}, {"abc": [0.2, 0.2, 0.0], "weight": 0.003}, {"abc": [0.25, 0.2, 0.0], "weight": 0.006}, {"abc": [0.3, 0.2, 0.0], "weight": 0.006}, {"abc": [0.35, 0.2, -0.0], "weight": 0.006}, {"abc": [0.4, 0.2, 0.0], "weight": 0.003}, {"abc": [0.25, 0.25, 0.0], "weight": 0.003}, {"abc": [0.3, 0.25, -0.0], "weight": 0.006}, {"abc": [0.35, 0.25, 0.0], "weight": 0.006}, {"abc": [0.3, 0.3, 0.0], "weight": 0.003}, {"abc": [0.35, 0.3, 0.0], "weight": 0.003}, {"abc": [0.05, 0.05, 0.05], "weight": 0.001}, {"abc": [0.1, 0.05, 0.05], "weight": 0.003}, {"abc": [0.15, 0.05, 0.05], "weight": 0.003}, {"abc": [0.2, 0.05, 0.05], "weight": 0.003}, {"abc": [0.25, 0.05, 0.05], "weight": 0.003}, {"abc": [0.3, 0.05, 0.05], "weight": 0.003}, {"abc": [0.35, 0.05, 0.05], "weight": 0.003}, {"abc": [0.4, 0.05, 0.05], "weight": 0.003}, {"abc": [0.45, 0.05, 0.05], "weight": 0.0015}, {"abc": [-0.05, 0.05, 0.05], "weight": 0.00075}, {"abc": [0.1, 0.1, 0.05], "weight": 0.003}, {"abc": [0.15, 0.1, 0.05], "weight": 0.006}, {"abc": [0.2, 0.1, 0.05], "weight": 0.006}, {"abc": [0.25, 0.1, 0.05], "weight": 0.006}, {"abc": [0.3, 0.1, 0.05], "weight": 0.006}, {"abc": [0.35, 0.1, 0.05], "weight": 0.006}, {"abc": [0.4, 0.1, 0.05], "weight": 0.006}, {"abc": [-0.1, 0.1, 0.05], "weight": 0.003}, {"abc": [0.15, 0.15, 0.05], "weight": 0.003}, {"abc": [0.2, 0.15, 0.05], "weight": 0.006}, {"abc": [0.25, 0.15, 0.05], "weight": 0.006}, {"abc": [0.3, 0.15, 0.05], "weight": 0.006}, {"abc": [0.35, 0.15, 0.05], "weight": 0.006}, {"abc": [0.4, 0.15, 0.05], "weight": 0.003}, {"abc": [-0.15, 0.15, 0.05], "weight": 0.003}, {"abc": [-0.1, 0.15, 0.05], "weight": 0.003}, {"abc": [0.2, 0.2, 0.05], "weight": 0.003}, {"abc": [0.25, 0.2, 0.05], "weight": 0.006}, {"abc": [0.3, 0.2, 0.05], "weight": 0.006}, {"abc": [0.35, 0.2, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.2, 0.05], "weight": 0.003}, {"abc": [-0.15, 0.2, 0.05], "weight": 0.006}, {"abc": [0.25, 0.25, 0.05], "weight": 0.003}, {"abc": [0.3, 0.25, 0.05], "weight": 0.006}, {"abc": [0.35, 0.25, 0.05], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.05], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.05], "weight": 0.006}, {"abc": [-0.15, 0.25, 0.05], "weight": 0.003}, {"abc": [0.3, 0.3, 0.05], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.05], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.3, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.35, 0.05], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.35, 0.05], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.05], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.45, 0.05], "weight": 0.003}, {"abc": [0.5, 0.5, 0.05], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.05], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.05], "weight": 0.006}, {"abc": [-0.3, -0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, -0.4, 0.05], "weight": 0.003}, {"abc": [-0.35, -0.4, 0.05], "weight": 0.006}, {"abc": [-0.35, -0.35, 0.05], "weight": 0.001}, {"abc": [0.1, 0.1, 0.1], "weight": 0.001}, {"abc": [0.15, 0.1, 0.1], "weight": 0.003}, {"abc": [0.2, 0.1, 0.1], "weight": 0.003}, {"abc": [0.25, 0.1, 0.1], "weight": 0.003}, {"abc": [0.3, 0.1, 0.1], "weight": 0.003}, {"abc": [0.35, 0.1, 0.1], "weight": 0.003}, {"abc": [0.4, 0.1, 0.1], "weight": 0.0015}, {"abc": [-0.1, 0.1, 0.1], "weight": 0.00075}, {"abc": [0.15, 0.15, 0.1], "weight": 0.003}, {"abc": [0.2, 0.15, 0.1], "weight": 0.006}, {"abc": [0.25, 0.15, 0.1], "weight": 0.006}, {"abc": [0.3, 0.15, 0.1], "weight": 0.006}, {"abc": [0.35, 0.15, 0.1], "weight": 0.006}, {"abc": [-0.15, 0.15, 0.1], "weight": 0.003}, {"abc": [0.2, 0.2, 0.1], "weight": 0.003}, {"abc": [0.25, 0.2, 0.1], "weight": 0.006}, {"abc": [0.3, 0.2, 0.1], "weight": 0.006}, {"abc": [0.35, 0.2, 0.1], "weight": 0.003}, {"abc": [-0.2, 0.2, 0.1], "weight": 0.003}, {"abc": [-0.15, 0.2, 0.1], "weight": 0.003}, {"abc": [0.25, 0.25, 0.1], "weight": 0.003}, {"abc": [0.3, 0.25, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.25, 0.1], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.1], "weight": 0.006}, {"abc": [0.3, 0.3, 0.1], "weight": 0.001}, {"abc": [-0.3, 0.3, 0.1], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.1], "weight": 0.006}, {"abc": [-0.2, 0.3, 0.1], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.1], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.1], "weight": 0.006}, {"abc": [-0.4, 0.4, 0.1], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.4, 0.1], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.1], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.1], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.1], "weight": 0.006}, {"abc": [0.5, 0.5, 0.1], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.5, 0.1], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.1], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.1], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.1], "weight": 0.006}, {"abc": [-0.4, -0.4, 0.1], "weight": 0.003}, {"abc": [-0.35, -0.4, 0.1], "weight": 0.003}, {"abc": [0.15, 0.15, 0.15], "weight": 0.001}, {"abc": [0.2, 0.15, 0.15], "weight": 0.003}, {"abc": [0.25, 0.15, 0.15], "weight": 0.003}, {"abc": [0.3, 0.15, 0.15], "weight": 0.003}, {"abc": [0.35, 0.15, 0.15], "weight": 0.0015}, {"abc": [-0.15, 0.15, 0.15], "weight": 0.00075}, {"abc": [0.2, 0.2, 0.15], "weight": 0.003}, {"abc": [0.25, 0.2, 0.15], "weight": 0.006}, {"abc": [0.3, 0.2, 0.15], "weight": 0.006}, {"abc": [-0.2, 0.2, 0.15], "weight": 0.003}, {"abc": [0.25, 0.25, 0.15], "weight": 0.003}, {"abc": [0.3, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.15], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.35, 0.15], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.15], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.15], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.15], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.15], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.15], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.15], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.15], "weight": 0.003}, {"abc": [0.5, 0.5, 0.15], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.15], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, -0.4, 0.15], "weight": 0.003}, {"abc": [0.2, 0.2, 0.2], "weight": 0.001}, {"abc": [0.25, 0.2, 0.2], "weight": 0.003}, {"abc": [0.3, 0.2, 0.2], "weight": 0.0015}, {"abc": [-0.2, 0.2, 0.2], "weight": 0.00075}, {"abc": [0.25, 0.25, 0.2], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.2], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.2], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.2], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.2], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.2], "weight": 0.006}, {"abc": [-0.4, 0.4, 0.2], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.2], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.2], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.2], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.2], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.2], "weight": 0.006}, {"abc": [0.5, 0.5, 0.2], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.2], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.2], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.2], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.2], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.2], "weight": 0.006}, {"abc": [-0.4, -0.4, 0.2], "weight": 0.001}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00025}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00075}, {"abc": [-0.3, 0.3, 0.25], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.25], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.25], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.25], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.25], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.25], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.25], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.25], "weight": 0.003}, {"abc": [0.5, 0.5, 0.25], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.25], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.25], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.25], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.25], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.3], "weight": 0.00075}, {"abc": [-0.35, 0.35, 0.3], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.3], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.3], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.3], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.3], "weight": 0.006}, {"abc": [0.5, 0.5, 0.3], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.3], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.3], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.3], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.35], "weight": 0.00075}, {"abc": [-0.4, 0.4, 0.35], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.35], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.35], "weight": 0.003}, {"abc": [0.5, 0.5, 0.35], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.35], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.35], "weight": 0.001}, {"abc": [-0.4, 0.4, 0.4], "weight": 0.00075}, {"abc": [-0.45, 0.45, 0.4], "weight": 0.003}, {"abc": [0.5, 0.5, 0.4], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.4], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.45], "weight": 0.00075}, {"abc": [0.5, 0.5, 0.45], "weight": 0.0015}, {"abc": [0.5, 0.5, 0.5], "weight": 0.000125}]}, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05690366, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.098122767176212, -2.098122767176212, -0.0], [-2.098122767176212, 0.0, -2.098122767176212], [-0.0, -2.098122767176212, -2.098122767176212]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -9.08009843, "e_wo_entrp": -9.08009843, "e_0_energy": 0.0, "forces": [[0.0, 0.0, -0.0]], "stress": [[5.12581975, 0.0, -0.0], [-0.0, 5.12581975, -0.0], [-0.0, -0.0, 5.12581975]], "electronic_steps": [{"alphaZ": 102.54785995, "ewald": -1058.69872826, "hartreedc": -283.31841962, "XCdc": 28.31130686, "pawpsdc": 962.50513922, "pawaedc": -938.34130716, "eentropy": 0.0, "bandstr": -58.16142168, "atom": 1321.33482025, "e_fr_energy": 76.17924955, "e_wo_entrp": 76.17924955, "e_0_energy": 76.17924955}, {"e_fr_energy": -9.45883059, "e_wo_entrp": -9.45883059, "e_0_energy": -9.45883059}, {"e_fr_energy": -10.47823863, "e_wo_entrp": -10.47823863, "e_0_energy": -10.47823863}, {"e_fr_energy": -10.48393581, "e_wo_entrp": -10.48393581, "e_0_energy": -10.48393581}, {"e_fr_energy": -10.48399553, "e_wo_entrp": -10.48399553, "e_0_energy": -10.48399553}, {"e_fr_energy": -9.09776988, "e_wo_entrp": -9.09776988, "e_0_energy": -9.09776988}, {"e_fr_energy": -9.08582997, "e_wo_entrp": -9.08582997, "e_0_energy": -9.08582997}, {"e_fr_energy": -9.08005102, "e_wo_entrp": -9.08005102, "e_0_energy": -9.08005102}, {"e_fr_energy": -9.08011398, "e_wo_entrp": -9.08011398, "e_0_energy": -9.08011398}, {"alphaZ": 102.54785995, "ewald": -1058.69872826, "hartreedc": -253.92250816, "XCdc": 27.03725633, "pawpsdc": 975.22462924, "pawaedc": -954.94198566, "eentropy": 0.0, "bandstr": -167.66144211, "atom": 1321.33482025, "e_fr_energy": -9.08009843, "e_wo_entrp": -9.08009843, "e_0_energy": -9.08009843}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}], "efermi": 5.86206946, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "energy": -9.08009843, "energy_per_atom": -9.08009843, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8621, "magnetization": [{"s": -0.0, "p": 0.0, "d": -0.0, "tot": -0.0}], "charge": [{"s": 0.357, "p": 6.238, "d": 3.073, "tot": 9.668}], "total_magnetization": 5.5e-06, "nelect": 10.9999989, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [40, 40, 40], "sampling_radii": [0.9339], "electrostatic_potential": [-46.3201]}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-36-952937/launcher_2018-03-20-10-48-12-879878", "completed_at": "2018-03-20 03:48:42.166993", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 31708.0, "Elapsed time (sec)": 28.194, "System time (sec)": 0.879, "User time (sec)": 27.153, "Total CPU time used (sec)": 28.032, "cores": "16"}, "overall": {"Total CPU time used (sec)": 28.032, "User time (sec)": 27.153, "System time (sec)": 0.879, "Elapsed time (sec)": 28.194}}, "chemsys": "V", "formula_anonymous": "A", "formula_reduced_abc": "V1", "completed_at": "2018-03-20 03:48:42.166993", "nsites": 1, "composition_unit_cell": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "elements": ["V"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05690366, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": -0.0}}]}, "density": 6.299468363320231, "energy": -9.08009843, "energy_per_atom": -9.08009843, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:48:42"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[20, 20, 20]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056041", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe678e9"}, "dir_name": "mc0853.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-15-801562/launcher_2018-03-20-10-53-41-735398", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185724, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-15-801562/launcher_2018-03-20-10-53-41-735398", "completed_at": "2018-03-20 03:54:26.207548", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32656.0, "Elapsed time (sec)": 43.435, "System time (sec)": 0.751, "User time (sec)": 42.589, "Total CPU time used (sec)": 43.339, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.339, "User time (sec)": 42.589, "System time (sec)": 0.751, "Elapsed time (sec)": 43.435}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:54:26.207548", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:54:26"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056066", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe678f9"}, "dir_name": "mc0806.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-10-57-20-546376", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185733, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-10-57-20-546376", "completed_at": "2018-03-20 03:58:04.949534", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32748.0, "Elapsed time (sec)": 43.325, "System time (sec)": 0.721, "User time (sec)": 42.511, "Total CPU time used (sec)": 43.231, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.231, "User time (sec)": 42.511, "System time (sec)": 0.721, "Elapsed time (sec)": 43.325}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:58:04.949534", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:58:04"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056082", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe678fd"}, "dir_name": "mc0851.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-10-375339/launcher_2018-03-20-10-57-50-226467", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185737, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-10-375339/launcher_2018-03-20-10-57-50-226467", "completed_at": "2018-03-20 03:58:34.621704", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32320.0, "Elapsed time (sec)": 43.363, "System time (sec)": 0.763, "User time (sec)": 42.499, "Total CPU time used (sec)": 43.261, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.261, "User time (sec)": 42.499, "System time (sec)": 0.763, "Elapsed time (sec)": 43.363}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:58:34.621704", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:58:34"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056086", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe678fe"}, "dir_name": "mc0846.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-22-03-129887/launcher_2018-03-20-10-58-09-397733", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185727, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-22-03-129887/launcher_2018-03-20-10-58-09-397733", "completed_at": "2018-03-20 03:58:53.840936", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32328.0, "Elapsed time (sec)": 43.398, "System time (sec)": 0.723, "User time (sec)": 42.533, "Total CPU time used (sec)": 43.255, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.255, "User time (sec)": 42.533, "System time (sec)": 0.723, "Elapsed time (sec)": 43.398}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 03:58:53.840936", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 03:58:53"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056087", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe6791e"}, "dir_name": "mc0812.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-05-143189/launcher_2018-03-20-11-03-07-570936", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185732, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-05-143189/launcher_2018-03-20-11-03-07-570936", "completed_at": "2018-03-20 04:03:52.090034", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32536.0, "Elapsed time (sec)": 43.464, "System time (sec)": 0.756, "User time (sec)": 42.587, "Total CPU time used (sec)": 43.342, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.342, "User time (sec)": 42.587, "System time (sec)": 0.756, "Elapsed time (sec)": 43.464}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:03:52.090034", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:03:52"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056119", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67923"}, "dir_name": "mc0835.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-21-035878/launcher_2018-03-20-11-03-49-943982", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185749, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-21-035878/launcher_2018-03-20-11-03-49-943982", "completed_at": "2018-03-20 04:04:34.617598", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32324.0, "Elapsed time (sec)": 43.538, "System time (sec)": 0.723, "User time (sec)": 42.609, "Total CPU time used (sec)": 43.331, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.331, "User time (sec)": 42.609, "System time (sec)": 0.723, "Elapsed time (sec)": 43.538}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:04:34.617598", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:04:34"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056124", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe6792c"}, "dir_name": "mc0821.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-36-952937/launcher_2018-03-20-11-05-41-609916", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191830, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00056349}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.13636364, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, -0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, -0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.04545455, 0.04545455, 0.04545455], "weight": 0.00075131}, {"abc": [0.09090909, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.04545455], "weight": 0.00112697}, {"abc": [-0.04545455, 0.04545455, 0.04545455], "weight": 0.00056349}, {"abc": [0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.31818182, 0.04545455], "weight": 0.00075131}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.5, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.09090909, 0.09090909, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.09090909], "weight": 0.00112697}, {"abc": [-0.09090909, 0.09090909, 0.09090909], "weight": 0.00056349}, {"abc": [0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.36363636, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.13636364, 0.13636364], "weight": 0.00075131}, {"abc": [0.18181818, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.13636364], "weight": 0.00112697}, {"abc": [-0.13636364, 0.13636364, 0.13636364], "weight": 0.00056349}, {"abc": [0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.18181818], "weight": 0.00075131}, {"abc": [0.22727273, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.18181818], "weight": 0.00112697}, {"abc": [-0.18181818, 0.18181818, 0.18181818], "weight": 0.00056349}, {"abc": [0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.18181818], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.18181818], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.22727273], "weight": 0.00075131}, {"abc": [0.27272727, 0.22727273, 0.22727273], "weight": 0.00112697}, {"abc": [-0.22727273, 0.22727273, 0.22727273], "weight": 0.00056349}, {"abc": [-0.27272727, 0.27272727, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.22727273], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.22727273], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.22727273], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.27272727], "weight": 0.00056349}, {"abc": [-0.31818182, 0.31818182, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.27272727], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.27272727], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.31818182], "weight": 0.00056349}, {"abc": [-0.36363636, 0.36363636, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.31818182], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.31818182], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.31818182], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.36363636], "weight": 0.00056349}, {"abc": [-0.40909091, 0.40909091, 0.36363636], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.36363636], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.36363636], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.36363636], "weight": 0.00075131}, {"abc": [-0.40909091, 0.40909091, 0.40909091], "weight": 0.00056349}, {"abc": [-0.45454545, 0.45454545, 0.40909091], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.40909091], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.40909091], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.45454545], "weight": 0.00056349}, {"abc": [0.5, 0.5, 0.45454545], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.5], "weight": 9.391e-05}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.2145288642193677, -2.2145288642193677, -0.0], [-2.2145288642193677, 0.0, -2.2145288642193677], [-0.0, -2.2145288642193677, -2.2145288642193677]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0]], "stress": [[-4.96995958, -0.0, -0.0], [0.0, -4.96995958, -0.0], [0.0, 0.0, -4.96995958]], "electronic_steps": [{"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -581.64383335, "XCdc": 71.8275702, "pawpsdc": 1835.8052181, "pawaedc": -1924.06966007, "eentropy": 0.0, "bandstr": -136.5541373, "atom": 2456.89122314, "e_fr_energy": 84.20492026, "e_wo_entrp": 84.20492026, "e_0_energy": 84.20492026}, {"e_fr_energy": -7.89878824, "e_wo_entrp": -7.89878824, "e_0_energy": -7.89878824}, {"e_fr_energy": -9.54742938, "e_wo_entrp": -9.54742938, "e_0_energy": -9.54742938}, {"e_fr_energy": -9.560646, "e_wo_entrp": -9.560646, "e_0_energy": -9.560646}, {"e_fr_energy": -9.56083588, "e_wo_entrp": -9.56083588, "e_0_energy": -9.56083588}, {"e_fr_energy": -8.58975321, "e_wo_entrp": -8.58975321, "e_0_energy": -8.58975321}, {"e_fr_energy": -8.46800183, "e_wo_entrp": -8.46800183, "e_0_energy": -8.46800183}, {"e_fr_energy": -8.45745804, "e_wo_entrp": -8.45745804, "e_0_energy": -8.45745804}, {"e_fr_energy": -8.45597494, "e_wo_entrp": -8.45597494, "e_0_energy": -8.45597494}, {"e_fr_energy": -8.45650748, "e_wo_entrp": -8.45650748, "e_0_energy": -8.45650748}, {"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -546.07049281, "XCdc": 70.48335312, "pawpsdc": 1862.75305865, "pawaedc": -1953.79661397, "eentropy": 0.0, "bandstr": -260.66559149, "atom": 2456.89122314, "e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": -8.45652383}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.23672726, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.45652383, "energy_per_atom": -8.45652383, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.2367, "magnetization": [{"s": -0.005, "p": -0.041, "d": 2.282, "tot": 2.237}], "charge": [{"s": 0.384, "p": 6.384, "d": 6.048, "tot": 12.816}], "total_magnetization": 2.2112128, "nelect": 14.0000012, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.4162]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-36-952937/launcher_2018-03-20-11-05-41-609916", "completed_at": "2018-03-20 04:06:19.891952", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32176.0, "Elapsed time (sec)": 37.268, "System time (sec)": 0.788, "User time (sec)": 36.375, "Total CPU time used (sec)": 37.163, "cores": "16"}, "overall": {"Total CPU time used (sec)": 37.163, "User time (sec)": 36.375, "System time (sec)": 0.788, "Elapsed time (sec)": 37.268}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:06:19.891952", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.237}}]}, "density": 8.12022030805798, "energy": -8.45652383, "energy_per_atom": -8.45652383, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:06:19"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [2.22], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056133", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67930"}, "dir_name": "mc0846.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-22-03-129887/launcher_2018-03-20-11-05-55-204030", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 186832, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00056349}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.13636364, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, -0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, -0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.04545455, 0.04545455, 0.04545455], "weight": 0.00075131}, {"abc": [0.09090909, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.04545455], "weight": 0.00112697}, {"abc": [-0.04545455, 0.04545455, 0.04545455], "weight": 0.00056349}, {"abc": [0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.31818182, 0.04545455], "weight": 0.00075131}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.5, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.09090909, 0.09090909, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.09090909], "weight": 0.00112697}, {"abc": [-0.09090909, 0.09090909, 0.09090909], "weight": 0.00056349}, {"abc": [0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.36363636, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.13636364, 0.13636364], "weight": 0.00075131}, {"abc": [0.18181818, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.13636364], "weight": 0.00112697}, {"abc": [-0.13636364, 0.13636364, 0.13636364], "weight": 0.00056349}, {"abc": [0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.18181818], "weight": 0.00075131}, {"abc": [0.22727273, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.18181818], "weight": 0.00112697}, {"abc": [-0.18181818, 0.18181818, 0.18181818], "weight": 0.00056349}, {"abc": [0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.18181818], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.18181818], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.22727273], "weight": 0.00075131}, {"abc": [0.27272727, 0.22727273, 0.22727273], "weight": 0.00112697}, {"abc": [-0.22727273, 0.22727273, 0.22727273], "weight": 0.00056349}, {"abc": [-0.27272727, 0.27272727, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.22727273], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.22727273], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.22727273], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.27272727], "weight": 0.00056349}, {"abc": [-0.31818182, 0.31818182, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.27272727], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.27272727], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.31818182], "weight": 0.00056349}, {"abc": [-0.36363636, 0.36363636, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.31818182], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.31818182], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.31818182], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.36363636], "weight": 0.00056349}, {"abc": [-0.40909091, 0.40909091, 0.36363636], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.36363636], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.36363636], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.36363636], "weight": 0.00075131}, {"abc": [-0.40909091, 0.40909091, 0.40909091], "weight": 0.00056349}, {"abc": [-0.45454545, 0.45454545, 0.40909091], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.40909091], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.40909091], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.45454545], "weight": 0.00056349}, {"abc": [0.5, 0.5, 0.45454545], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.5], "weight": 9.391e-05}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.2145288642193677, -2.2145288642193677, -0.0], [-2.2145288642193677, 0.0, -2.2145288642193677], [-0.0, -2.2145288642193677, -2.2145288642193677]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0]], "stress": [[-4.96995958, -0.0, -0.0], [0.0, -4.96995958, -0.0], [0.0, 0.0, -4.96995958]], "electronic_steps": [{"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -581.64383335, "XCdc": 71.8275702, "pawpsdc": 1835.8052181, "pawaedc": -1924.06966007, "eentropy": 0.0, "bandstr": -136.5541373, "atom": 2456.89122314, "e_fr_energy": 84.20492026, "e_wo_entrp": 84.20492026, "e_0_energy": 84.20492026}, {"e_fr_energy": -7.89878824, "e_wo_entrp": -7.89878824, "e_0_energy": -7.89878824}, {"e_fr_energy": -9.54742938, "e_wo_entrp": -9.54742938, "e_0_energy": -9.54742938}, {"e_fr_energy": -9.560646, "e_wo_entrp": -9.560646, "e_0_energy": -9.560646}, {"e_fr_energy": -9.56083588, "e_wo_entrp": -9.56083588, "e_0_energy": -9.56083588}, {"e_fr_energy": -8.58975321, "e_wo_entrp": -8.58975321, "e_0_energy": -8.58975321}, {"e_fr_energy": -8.46800183, "e_wo_entrp": -8.46800183, "e_0_energy": -8.46800183}, {"e_fr_energy": -8.45745804, "e_wo_entrp": -8.45745804, "e_0_energy": -8.45745804}, {"e_fr_energy": -8.45597494, "e_wo_entrp": -8.45597494, "e_0_energy": -8.45597494}, {"e_fr_energy": -8.45650748, "e_wo_entrp": -8.45650748, "e_0_energy": -8.45650748}, {"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -546.07049281, "XCdc": 70.48335312, "pawpsdc": 1862.75305865, "pawaedc": -1953.79661397, "eentropy": 0.0, "bandstr": -260.66559149, "atom": 2456.89122314, "e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": -8.45652383}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.23672726, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.45652383, "energy_per_atom": -8.45652383, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.2367, "magnetization": [{"s": -0.005, "p": -0.041, "d": 2.282, "tot": 2.237}], "charge": [{"s": 0.384, "p": 6.384, "d": 6.048, "tot": 12.816}], "total_magnetization": 2.2112128, "nelect": 14.0000012, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.4162]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-22-03-129887/launcher_2018-03-20-11-05-55-204030", "completed_at": "2018-03-20 04:06:33.335421", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32024.0, "Elapsed time (sec)": 37.113, "System time (sec)": 0.738, "User time (sec)": 36.293, "Total CPU time used (sec)": 37.031, "cores": "16"}, "overall": {"Total CPU time used (sec)": 37.031, "User time (sec)": 36.293, "System time (sec)": 0.738, "Elapsed time (sec)": 37.113}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:06:33.335421", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.237}}]}, "density": 8.12022030805798, "energy": -8.45652383, "energy_per_atom": -8.45652383, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:06:33"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [2.22], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056137", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe6793c"}, "dir_name": "mc0806.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-11-11-38-575153", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191751, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00056349}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.13636364, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, -0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, -0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.04545455, 0.04545455, 0.04545455], "weight": 0.00075131}, {"abc": [0.09090909, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.04545455], "weight": 0.00112697}, {"abc": [-0.04545455, 0.04545455, 0.04545455], "weight": 0.00056349}, {"abc": [0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.31818182, 0.04545455], "weight": 0.00075131}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.5, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.09090909, 0.09090909, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.09090909], "weight": 0.00112697}, {"abc": [-0.09090909, 0.09090909, 0.09090909], "weight": 0.00056349}, {"abc": [0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.36363636, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.13636364, 0.13636364], "weight": 0.00075131}, {"abc": [0.18181818, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.13636364], "weight": 0.00112697}, {"abc": [-0.13636364, 0.13636364, 0.13636364], "weight": 0.00056349}, {"abc": [0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.18181818], "weight": 0.00075131}, {"abc": [0.22727273, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.18181818], "weight": 0.00112697}, {"abc": [-0.18181818, 0.18181818, 0.18181818], "weight": 0.00056349}, {"abc": [0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.18181818], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.18181818], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.22727273], "weight": 0.00075131}, {"abc": [0.27272727, 0.22727273, 0.22727273], "weight": 0.00112697}, {"abc": [-0.22727273, 0.22727273, 0.22727273], "weight": 0.00056349}, {"abc": [-0.27272727, 0.27272727, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.22727273], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.22727273], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.22727273], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.27272727], "weight": 0.00056349}, {"abc": [-0.31818182, 0.31818182, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.27272727], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.27272727], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.31818182], "weight": 0.00056349}, {"abc": [-0.36363636, 0.36363636, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.31818182], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.31818182], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.31818182], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.36363636], "weight": 0.00056349}, {"abc": [-0.40909091, 0.40909091, 0.36363636], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.36363636], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.36363636], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.36363636], "weight": 0.00075131}, {"abc": [-0.40909091, 0.40909091, 0.40909091], "weight": 0.00056349}, {"abc": [-0.45454545, 0.45454545, 0.40909091], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.40909091], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.40909091], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.45454545], "weight": 0.00056349}, {"abc": [0.5, 0.5, 0.45454545], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.5], "weight": 9.391e-05}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.2145288642193677, -2.2145288642193677, -0.0], [-2.2145288642193677, 0.0, -2.2145288642193677], [-0.0, -2.2145288642193677, -2.2145288642193677]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0]], "stress": [[-4.96995958, -0.0, -0.0], [0.0, -4.96995958, -0.0], [0.0, 0.0, -4.96995958]], "electronic_steps": [{"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -581.64383335, "XCdc": 71.8275702, "pawpsdc": 1835.8052181, "pawaedc": -1924.06966007, "eentropy": 0.0, "bandstr": -136.5541373, "atom": 2456.89122314, "e_fr_energy": 84.20492026, "e_wo_entrp": 84.20492026, "e_0_energy": 84.20492026}, {"e_fr_energy": -7.89878824, "e_wo_entrp": -7.89878824, "e_0_energy": -7.89878824}, {"e_fr_energy": -9.54742938, "e_wo_entrp": -9.54742938, "e_0_energy": -9.54742938}, {"e_fr_energy": -9.560646, "e_wo_entrp": -9.560646, "e_0_energy": -9.560646}, {"e_fr_energy": -9.56083588, "e_wo_entrp": -9.56083588, "e_0_energy": -9.56083588}, {"e_fr_energy": -8.58975321, "e_wo_entrp": -8.58975321, "e_0_energy": -8.58975321}, {"e_fr_energy": -8.46800183, "e_wo_entrp": -8.46800183, "e_0_energy": -8.46800183}, {"e_fr_energy": -8.45745804, "e_wo_entrp": -8.45745804, "e_0_energy": -8.45745804}, {"e_fr_energy": -8.45597494, "e_wo_entrp": -8.45597494, "e_0_energy": -8.45597494}, {"e_fr_energy": -8.45650748, "e_wo_entrp": -8.45650748, "e_0_energy": -8.45650748}, {"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -546.07049281, "XCdc": 70.48335312, "pawpsdc": 1862.75305865, "pawaedc": -1953.79661397, "eentropy": 0.0, "bandstr": -260.66559149, "atom": 2456.89122314, "e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": -8.45652383}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.23672726, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.45652383, "energy_per_atom": -8.45652383, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.2367, "magnetization": [{"s": -0.005, "p": -0.041, "d": 2.282, "tot": 2.237}], "charge": [{"s": 0.384, "p": 6.384, "d": 6.048, "tot": 12.816}], "total_magnetization": 2.2112128, "nelect": 14.0000012, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.4162]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-47-431924/launcher_2018-03-20-11-11-38-575153", "completed_at": "2018-03-20 04:12:17.023664", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32368.0, "Elapsed time (sec)": 37.461, "System time (sec)": 0.827, "User time (sec)": 36.49, "Total CPU time used (sec)": 37.317, "cores": "16"}, "overall": {"Total CPU time used (sec)": 37.317, "User time (sec)": 36.49, "System time (sec)": 0.827, "Elapsed time (sec)": 37.461}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:12:17.023664", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.237}}]}, "density": 8.12022030805798, "energy": -8.45652383, "energy_per_atom": -8.45652383, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:12:17"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [2.22], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056170", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67946"}, "dir_name": "mc0856.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-31-505604/launcher_2018-03-20-11-12-12-101816", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185746, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-31-505604/launcher_2018-03-20-11-12-12-101816", "completed_at": "2018-03-20 04:12:56.572678", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32288.0, "Elapsed time (sec)": 43.429, "System time (sec)": 0.724, "User time (sec)": 42.53, "Total CPU time used (sec)": 43.253, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.253, "User time (sec)": 42.53, "System time (sec)": 0.724, "Elapsed time (sec)": 43.429}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:12:56.572678", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:12:56"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056176", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67963"}, "dir_name": "mc0861.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-42-184546/launcher_2018-03-20-11-13-45-592128", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185738, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-42-184546/launcher_2018-03-20-11-13-45-592128", "completed_at": "2018-03-20 04:14:30.111362", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32252.0, "Elapsed time (sec)": 43.471, "System time (sec)": 0.758, "User time (sec)": 42.635, "Total CPU time used (sec)": 43.392, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.392, "User time (sec)": 42.635, "System time (sec)": 0.758, "Elapsed time (sec)": 43.471}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:14:30.111362", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:14:30"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056185", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe679c0"}, "dir_name": "mc0833.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-15-14-062382", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185750, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-15-14-062382", "completed_at": "2018-03-20 04:15:58.565308", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32224.0, "Elapsed time (sec)": 43.408, "System time (sec)": 0.714, "User time (sec)": 42.569, "Total CPU time used (sec)": 43.282, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.282, "User time (sec)": 42.569, "System time (sec)": 0.714, "Elapsed time (sec)": 43.408}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:15:58.565308", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:15:58"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056196", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67985"}, "dir_name": "mc0858.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-36-738465/launcher_2018-03-20-11-15-21-364746", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185726, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-36-738465/launcher_2018-03-20-11-15-21-364746", "completed_at": "2018-03-20 04:16:05.803814", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32148.0, "Elapsed time (sec)": 43.359, "System time (sec)": 0.706, "User time (sec)": 42.536, "Total CPU time used (sec)": 43.241, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.241, "User time (sec)": 42.536, "System time (sec)": 0.706, "Elapsed time (sec)": 43.359}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:16:05.803814", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:16:05"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056198", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a26"}, "dir_name": "mc0861.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-42-184546/launcher_2018-03-20-11-22-13-803679", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185742, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-42-184546/launcher_2018-03-20-11-22-13-803679", "completed_at": "2018-03-20 04:22:58.182438", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32032.0, "Elapsed time (sec)": 43.272, "System time (sec)": 0.748, "User time (sec)": 42.421, "Total CPU time used (sec)": 43.168, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.168, "User time (sec)": 42.421, "System time (sec)": 0.748, "Elapsed time (sec)": 43.272}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:22:58.182438", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:22:58"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056241", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a53"}, "dir_name": "mc0866.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-41-968544/launcher_2018-03-20-11-26-14-914578", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185734, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-41-968544/launcher_2018-03-20-11-26-14-914578", "completed_at": "2018-03-20 04:26:59.324098", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32148.0, "Elapsed time (sec)": 43.377, "System time (sec)": 0.722, "User time (sec)": 42.51, "Total CPU time used (sec)": 43.231, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.231, "User time (sec)": 42.51, "System time (sec)": 0.722, "Elapsed time (sec)": 43.377}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:26:59.324098", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:26:59"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056271", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a5c"}, "dir_name": "mc0821.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-36-952937/launcher_2018-03-20-11-26-28-736764", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185757, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-36-952937/launcher_2018-03-20-11-26-28-736764", "completed_at": "2018-03-20 04:27:13.121444", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32264.0, "Elapsed time (sec)": 43.361, "System time (sec)": 0.725, "User time (sec)": 42.541, "Total CPU time used (sec)": 43.265, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.265, "User time (sec)": 42.541, "System time (sec)": 0.725, "Elapsed time (sec)": 43.361}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:27:13.121444", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:27:13"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056274", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a5d"}, "dir_name": "mc0802.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-05-854193/launcher_2018-03-20-11-26-30-793063", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185743, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-05-854193/launcher_2018-03-20-11-26-30-793063", "completed_at": "2018-03-20 04:27:15.197948", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32480.0, "Elapsed time (sec)": 43.349, "System time (sec)": 0.732, "User time (sec)": 42.51, "Total CPU time used (sec)": 43.241, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.241, "User time (sec)": 42.51, "System time (sec)": 0.732, "Elapsed time (sec)": 43.349}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:27:15.197948", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:27:15"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056276", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67973"}, "dir_name": "mc0833.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-33-22-065718", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185722, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-33-22-065718", "completed_at": "2018-03-20 04:34:06.691314", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32252.0, "Elapsed time (sec)": 43.537, "System time (sec)": 0.807, "User time (sec)": 42.584, "Total CPU time used (sec)": 43.39, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.39, "User time (sec)": 42.584, "System time (sec)": 0.807, "Elapsed time (sec)": 43.537}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:34:06.691314", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:34:06"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056317", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a46"}, "dir_name": "mc0866.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-41-968544/launcher_2018-03-20-11-34-01-273324", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 183262, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00056349}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.13636364, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, -0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, -0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.04545455, 0.04545455, 0.04545455], "weight": 0.00075131}, {"abc": [0.09090909, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.04545455], "weight": 0.00112697}, {"abc": [-0.04545455, 0.04545455, 0.04545455], "weight": 0.00056349}, {"abc": [0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.31818182, 0.04545455], "weight": 0.00075131}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.5, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.09090909, 0.09090909, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.09090909], "weight": 0.00112697}, {"abc": [-0.09090909, 0.09090909, 0.09090909], "weight": 0.00056349}, {"abc": [0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.36363636, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.13636364, 0.13636364], "weight": 0.00075131}, {"abc": [0.18181818, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.13636364], "weight": 0.00112697}, {"abc": [-0.13636364, 0.13636364, 0.13636364], "weight": 0.00056349}, {"abc": [0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.18181818], "weight": 0.00075131}, {"abc": [0.22727273, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.18181818], "weight": 0.00112697}, {"abc": [-0.18181818, 0.18181818, 0.18181818], "weight": 0.00056349}, {"abc": [0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.18181818], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.18181818], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.22727273], "weight": 0.00075131}, {"abc": [0.27272727, 0.22727273, 0.22727273], "weight": 0.00112697}, {"abc": [-0.22727273, 0.22727273, 0.22727273], "weight": 0.00056349}, {"abc": [-0.27272727, 0.27272727, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.22727273], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.22727273], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.22727273], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.27272727], "weight": 0.00056349}, {"abc": [-0.31818182, 0.31818182, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.27272727], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.27272727], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.31818182], "weight": 0.00056349}, {"abc": [-0.36363636, 0.36363636, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.31818182], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.31818182], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.31818182], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.36363636], "weight": 0.00056349}, {"abc": [-0.40909091, 0.40909091, 0.36363636], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.36363636], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.36363636], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.36363636], "weight": 0.00075131}, {"abc": [-0.40909091, 0.40909091, 0.40909091], "weight": 0.00056349}, {"abc": [-0.45454545, 0.45454545, 0.40909091], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.40909091], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.40909091], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.45454545], "weight": 0.00056349}, {"abc": [0.5, 0.5, 0.45454545], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.5], "weight": 9.391e-05}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.2145288642193677, -2.2145288642193677, -0.0], [-2.2145288642193677, 0.0, -2.2145288642193677], [-0.0, -2.2145288642193677, -2.2145288642193677]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0]], "stress": [[-4.96995958, -0.0, -0.0], [0.0, -4.96995958, -0.0], [0.0, 0.0, -4.96995958]], "electronic_steps": [{"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -581.64383335, "XCdc": 71.8275702, "pawpsdc": 1835.8052181, "pawaedc": -1924.06966007, "eentropy": 0.0, "bandstr": -136.5541373, "atom": 2456.89122314, "e_fr_energy": 84.20492026, "e_wo_entrp": 84.20492026, "e_0_energy": 84.20492026}, {"e_fr_energy": -7.89878824, "e_wo_entrp": -7.89878824, "e_0_energy": -7.89878824}, {"e_fr_energy": -9.54742938, "e_wo_entrp": -9.54742938, "e_0_energy": -9.54742938}, {"e_fr_energy": -9.560646, "e_wo_entrp": -9.560646, "e_0_energy": -9.560646}, {"e_fr_energy": -9.56083588, "e_wo_entrp": -9.56083588, "e_0_energy": -9.56083588}, {"e_fr_energy": -8.58975321, "e_wo_entrp": -8.58975321, "e_0_energy": -8.58975321}, {"e_fr_energy": -8.46800183, "e_wo_entrp": -8.46800183, "e_0_energy": -8.46800183}, {"e_fr_energy": -8.45745804, "e_wo_entrp": -8.45745804, "e_0_energy": -8.45745804}, {"e_fr_energy": -8.45597494, "e_wo_entrp": -8.45597494, "e_0_energy": -8.45597494}, {"e_fr_energy": -8.45650748, "e_wo_entrp": -8.45650748, "e_0_energy": -8.45650748}, {"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -546.07049281, "XCdc": 70.48335312, "pawpsdc": 1862.75305865, "pawaedc": -1953.79661397, "eentropy": 0.0, "bandstr": -260.66559149, "atom": 2456.89122314, "e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": -8.45652383}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.23672726, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.45652383, "energy_per_atom": -8.45652383, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.2367, "magnetization": [{"s": -0.005, "p": -0.041, "d": 2.282, "tot": 2.237}], "charge": [{"s": 0.384, "p": 6.384, "d": 6.048, "tot": 12.816}], "total_magnetization": 2.2112128, "nelect": 14.0000012, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.4162]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-41-968544/launcher_2018-03-20-11-34-01-273324", "completed_at": "2018-03-20 04:34:39.778939", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33208.0, "Elapsed time (sec)": 37.497, "System time (sec)": 0.907, "User time (sec)": 36.386, "Total CPU time used (sec)": 37.293, "cores": "16"}, "overall": {"Total CPU time used (sec)": 37.293, "User time (sec)": 36.386, "System time (sec)": 0.907, "Elapsed time (sec)": 37.497}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:34:39.778939", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.237}}]}, "density": 8.12022030805798, "energy": -8.45652383, "energy_per_atom": -8.45652383, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:34:39"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [2.22], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056320", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a76"}, "dir_name": "mc0861.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-42-184546/launcher_2018-03-20-11-39-52-024226", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 426989, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00056349}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.13636364, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.04545455, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00450789}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, -0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, -0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, -0.0], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00450789}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, -0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00450789}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.04545455, 0.04545455, 0.04545455], "weight": 0.00075131}, {"abc": [0.09090909, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.04545455], "weight": 0.00112697}, {"abc": [-0.04545455, 0.04545455, 0.04545455], "weight": 0.00056349}, {"abc": [0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.31818182, 0.04545455], "weight": 0.00075131}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.5, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, -0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [-0.36363636, -0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.09090909, 0.09090909, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.09090909], "weight": 0.00112697}, {"abc": [-0.09090909, 0.09090909, 0.09090909], "weight": 0.00056349}, {"abc": [0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.22727273, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.09090909], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [-0.13636364, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, -0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, -0.36363636, 0.09090909], "weight": 0.00075131}, {"abc": [0.13636364, 0.13636364, 0.13636364], "weight": 0.00075131}, {"abc": [0.18181818, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.13636364], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.13636364], "weight": 0.00112697}, {"abc": [-0.13636364, 0.13636364, 0.13636364], "weight": 0.00056349}, {"abc": [0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.27272727, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.13636364], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.13636364], "weight": 0.00450789}, {"abc": [0.31818182, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [-0.18181818, 0.22727273, 0.13636364], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.5, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, -0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [0.18181818, 0.18181818, 0.18181818], "weight": 0.00075131}, {"abc": [0.22727273, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.18181818], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.18181818], "weight": 0.00112697}, {"abc": [-0.18181818, 0.18181818, 0.18181818], "weight": 0.00056349}, {"abc": [0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.18181818], "weight": 0.00225394}, {"abc": [0.27272727, 0.27272727, 0.18181818], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.22727273, 0.27272727, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.18181818], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.18181818], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, -0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, -0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [0.22727273, 0.22727273, 0.22727273], "weight": 0.00075131}, {"abc": [0.27272727, 0.22727273, 0.22727273], "weight": 0.00112697}, {"abc": [-0.22727273, 0.22727273, 0.22727273], "weight": 0.00056349}, {"abc": [-0.27272727, 0.27272727, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.31818182, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.22727273], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.22727273], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.22727273], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.22727273], "weight": 0.00450789}, {"abc": [-0.36363636, 0.5, 0.22727273], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.22727273], "weight": 0.00450789}, {"abc": [-0.40909091, -0.40909091, 0.22727273], "weight": 0.00075131}, {"abc": [-0.27272727, 0.27272727, 0.27272727], "weight": 0.00056349}, {"abc": [-0.31818182, 0.31818182, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.36363636, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.27272727], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.27272727], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.27272727], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.27272727], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.40909091, -0.45454545, 0.27272727], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.31818182], "weight": 0.00056349}, {"abc": [-0.36363636, 0.36363636, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.31818182], "weight": 0.00450789}, {"abc": [0.5, 0.5, 0.31818182], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.31818182], "weight": 0.00450789}, {"abc": [-0.40909091, 0.5, 0.31818182], "weight": 0.00225394}, {"abc": [-0.45454545, -0.45454545, 0.31818182], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.36363636], "weight": 0.00056349}, {"abc": [-0.40909091, 0.40909091, 0.36363636], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.36363636], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.36363636], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.36363636], "weight": 0.00450789}, {"abc": [-0.45454545, -0.45454545, 0.36363636], "weight": 0.00075131}, {"abc": [-0.40909091, 0.40909091, 0.40909091], "weight": 0.00056349}, {"abc": [-0.45454545, 0.45454545, 0.40909091], "weight": 0.00225394}, {"abc": [0.5, 0.5, 0.40909091], "weight": 0.00112697}, {"abc": [-0.45454545, 0.5, 0.40909091], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.45454545], "weight": 0.00056349}, {"abc": [0.5, 0.5, 0.45454545], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.5], "weight": 9.391e-05}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.2145288642193677, -2.2145288642193677, -0.0], [-2.2145288642193677, 0.0, -2.2145288642193677], [-0.0, -2.2145288642193677, -2.2145288642193677]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0]], "stress": [[-4.96995958, -0.0, -0.0], [0.0, -4.96995958, -0.0], [0.0, 0.0, -4.96995958]], "electronic_steps": [{"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -581.64383335, "XCdc": 71.8275702, "pawpsdc": 1835.8052181, "pawaedc": -1924.06966007, "eentropy": 0.0, "bandstr": -136.5541373, "atom": 2456.89122314, "e_fr_energy": 84.20492026, "e_wo_entrp": 84.20492026, "e_0_energy": 84.20492026}, {"e_fr_energy": -7.89878824, "e_wo_entrp": -7.89878824, "e_0_energy": -7.89878824}, {"e_fr_energy": -9.54742938, "e_wo_entrp": -9.54742938, "e_0_energy": -9.54742938}, {"e_fr_energy": -9.560646, "e_wo_entrp": -9.560646, "e_0_energy": -9.560646}, {"e_fr_energy": -9.56083588, "e_wo_entrp": -9.56083588, "e_0_energy": -9.56083588}, {"e_fr_energy": -8.58975321, "e_wo_entrp": -8.58975321, "e_0_energy": -8.58975321}, {"e_fr_energy": -8.46800183, "e_wo_entrp": -8.46800183, "e_0_energy": -8.46800183}, {"e_fr_energy": -8.45745804, "e_wo_entrp": -8.45745804, "e_0_energy": -8.45745804}, {"e_fr_energy": -8.45597494, "e_wo_entrp": -8.45597494, "e_0_energy": -8.45597494}, {"e_fr_energy": -8.45650748, "e_wo_entrp": -8.45650748, "e_0_energy": -8.45650748}, {"alphaZ": 172.01091581, "ewald": -1810.06237627, "hartreedc": -546.07049281, "XCdc": 70.48335312, "pawpsdc": 1862.75305865, "pawaedc": -1953.79661397, "eentropy": 0.0, "bandstr": -260.66559149, "atom": 2456.89122314, "e_fr_energy": -8.45652383, "e_wo_entrp": -8.45652383, "e_0_energy": -8.45652383}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.23672726, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.45652383, "energy_per_atom": -8.45652383, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.2367, "magnetization": [{"s": -0.005, "p": -0.041, "d": 2.282, "tot": 2.237}], "charge": [{"s": 0.384, "p": 6.384, "d": 6.048, "tot": 12.816}], "total_magnetization": 2.2112128, "nelect": 14.0000012, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.4162]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-42-184546/launcher_2018-03-20-11-39-52-024226", "completed_at": "2018-03-20 04:40:30.474848", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32520.0, "Elapsed time (sec)": 37.44, "System time (sec)": 0.932, "User time (sec)": 36.36, "Total CPU time used (sec)": 37.292, "cores": "16"}, "overall": {"Total CPU time used (sec)": 37.292, "User time (sec)": 36.36, "System time (sec)": 0.932, "Elapsed time (sec)": 37.44}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:40:30.474848", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.22], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85199163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [2.22], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.237}}]}, "density": 8.12022030805798, "energy": -8.45652383, "energy_per_atom": -8.45652383, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:40:30"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.418628, -1.418628, 1.418628], [-1.418628, 1.418628, -1.418628], [1.418628, -1.418628, -1.418628]], "a": 2.457135773039821, "b": 2.457135773039821, "c": 2.457135773039821, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.419986055892837}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [2.22], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056355", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a0e"}, "dir_name": "mc0643.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-31-713669/launcher_2018-03-20-11-42-11-680259", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185735, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-09-21-31-713669/launcher_2018-03-20-11-42-11-680259", "completed_at": "2018-03-20 04:42:56.473239", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33092.0, "Elapsed time (sec)": 43.73, "System time (sec)": 0.833, "User time (sec)": 42.665, "Total CPU time used (sec)": 43.497, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.497, "User time (sec)": 42.665, "System time (sec)": 0.833, "Elapsed time (sec)": 43.73}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:42:56.473239", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:42:56"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056371", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a0f"}, "dir_name": "mc0631.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-37-263877/launcher_2018-03-20-11-42-14-836339", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185725, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-37-263877/launcher_2018-03-20-11-42-14-836339", "completed_at": "2018-03-20 04:42:59.570549", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32660.0, "Elapsed time (sec)": 43.654, "System time (sec)": 0.889, "User time (sec)": 42.543, "Total CPU time used (sec)": 43.431, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.431, "User time (sec)": 42.543, "System time (sec)": 0.889, "Elapsed time (sec)": 43.654}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:42:59.570549", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:42:59"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056372", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67948"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-11-45-50-334422", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185720, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-11-45-50-334422", "completed_at": "2018-03-20 04:46:35.091460", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33076.0, "Elapsed time (sec)": 43.645, "System time (sec)": 0.855, "User time (sec)": 42.588, "Total CPU time used (sec)": 43.442, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.442, "User time (sec)": 42.588, "System time (sec)": 0.855, "Elapsed time (sec)": 43.645}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:46:35.091460", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:46:35"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056400", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f6d2e927b78dbe67992"}, "dir_name": "mc0866.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-41-968544/launcher_2018-03-20-11-49-01-209925", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185758, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-41-968544/launcher_2018-03-20-11-49-01-209925", "completed_at": "2018-03-20 04:49:45.939949", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33572.0, "Elapsed time (sec)": 43.622, "System time (sec)": 0.847, "User time (sec)": 42.544, "Total CPU time used (sec)": 43.39, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.39, "User time (sec)": 42.544, "System time (sec)": 0.847, "Elapsed time (sec)": 43.622}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:49:45.939949", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:49:45"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056420", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67a0c"}, "dir_name": "mc0833.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-53-23-716362", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185755, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-53-23-716362", "completed_at": "2018-03-20 04:54:08.563042", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32984.0, "Elapsed time (sec)": 43.78, "System time (sec)": 0.871, "User time (sec)": 42.672, "Total CPU time used (sec)": 43.542, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.542, "User time (sec)": 42.672, "System time (sec)": 0.871, "Elapsed time (sec)": 43.78}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 04:54:08.563042", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:54:08"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056450", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67adc"}, "dir_name": "mc0833.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-58-29-899338", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 426983, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[20, 20, 20]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05, 0.0, 0.0], "genvec2": [0.0, 0.05, 0.0], "genvec3": [0.0, 0.0, 0.05], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.000125}, {"abc": [0.05, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.1, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.15, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.2, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.25, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.3, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.35, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.4, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.45, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00075}, {"abc": [0.05, 0.05, -0.0], "weight": 0.003}, {"abc": [0.1, 0.05, 0.0], "weight": 0.006}, {"abc": [0.15, 0.05, 0.0], "weight": 0.006}, {"abc": [0.2, 0.05, 0.0], "weight": 0.006}, {"abc": [0.25, 0.05, 0.0], "weight": 0.006}, {"abc": [0.3, 0.05, 0.0], "weight": 0.006}, {"abc": [0.35, 0.05, 0.0], "weight": 0.006}, {"abc": [0.4, 0.05, 0.0], "weight": 0.006}, {"abc": [0.45, 0.05, 0.0], "weight": 0.006}, {"abc": [0.1, 0.1, -0.0], "weight": 0.003}, {"abc": [0.15, 0.1, 0.0], "weight": 0.006}, {"abc": [0.2, 0.1, 0.0], "weight": 0.006}, {"abc": [0.25, 0.1, 0.0], "weight": 0.006}, {"abc": [0.3, 0.1, 0.0], "weight": 0.006}, {"abc": [0.35, 0.1, 0.0], "weight": 0.006}, {"abc": [0.4, 0.1, 0.0], "weight": 0.006}, {"abc": [0.45, 0.1, 0.0], "weight": 0.003}, {"abc": [0.15, 0.15, 0.0], "weight": 0.003}, {"abc": [0.2, 0.15, -0.0], "weight": 0.006}, {"abc": [0.25, 0.15, 0.0], "weight": 0.006}, {"abc": [0.3, 0.15, -0.0], "weight": 0.006}, {"abc": [0.35, 0.15, 0.0], "weight": 0.006}, {"abc": [0.4, 0.15, 0.0], "weight": 0.006}, {"abc": [0.2, 0.2, 0.0], "weight": 0.003}, {"abc": [0.25, 0.2, 0.0], "weight": 0.006}, {"abc": [0.3, 0.2, 0.0], "weight": 0.006}, {"abc": [0.35, 0.2, -0.0], "weight": 0.006}, {"abc": [0.4, 0.2, 0.0], "weight": 0.003}, {"abc": [0.25, 0.25, 0.0], "weight": 0.003}, {"abc": [0.3, 0.25, -0.0], "weight": 0.006}, {"abc": [0.35, 0.25, 0.0], "weight": 0.006}, {"abc": [0.3, 0.3, 0.0], "weight": 0.003}, {"abc": [0.35, 0.3, 0.0], "weight": 0.003}, {"abc": [0.05, 0.05, 0.05], "weight": 0.001}, {"abc": [0.1, 0.05, 0.05], "weight": 0.003}, {"abc": [0.15, 0.05, 0.05], "weight": 0.003}, {"abc": [0.2, 0.05, 0.05], "weight": 0.003}, {"abc": [0.25, 0.05, 0.05], "weight": 0.003}, {"abc": [0.3, 0.05, 0.05], "weight": 0.003}, {"abc": [0.35, 0.05, 0.05], "weight": 0.003}, {"abc": [0.4, 0.05, 0.05], "weight": 0.003}, {"abc": [0.45, 0.05, 0.05], "weight": 0.0015}, {"abc": [-0.05, 0.05, 0.05], "weight": 0.00075}, {"abc": [0.1, 0.1, 0.05], "weight": 0.003}, {"abc": [0.15, 0.1, 0.05], "weight": 0.006}, {"abc": [0.2, 0.1, 0.05], "weight": 0.006}, {"abc": [0.25, 0.1, 0.05], "weight": 0.006}, {"abc": [0.3, 0.1, 0.05], "weight": 0.006}, {"abc": [0.35, 0.1, 0.05], "weight": 0.006}, {"abc": [0.4, 0.1, 0.05], "weight": 0.006}, {"abc": [-0.1, 0.1, 0.05], "weight": 0.003}, {"abc": [0.15, 0.15, 0.05], "weight": 0.003}, {"abc": [0.2, 0.15, 0.05], "weight": 0.006}, {"abc": [0.25, 0.15, 0.05], "weight": 0.006}, {"abc": [0.3, 0.15, 0.05], "weight": 0.006}, {"abc": [0.35, 0.15, 0.05], "weight": 0.006}, {"abc": [0.4, 0.15, 0.05], "weight": 0.003}, {"abc": [-0.15, 0.15, 0.05], "weight": 0.003}, {"abc": [-0.1, 0.15, 0.05], "weight": 0.003}, {"abc": [0.2, 0.2, 0.05], "weight": 0.003}, {"abc": [0.25, 0.2, 0.05], "weight": 0.006}, {"abc": [0.3, 0.2, 0.05], "weight": 0.006}, {"abc": [0.35, 0.2, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.2, 0.05], "weight": 0.003}, {"abc": [-0.15, 0.2, 0.05], "weight": 0.006}, {"abc": [0.25, 0.25, 0.05], "weight": 0.003}, {"abc": [0.3, 0.25, 0.05], "weight": 0.006}, {"abc": [0.35, 0.25, 0.05], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.05], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.05], "weight": 0.006}, {"abc": [-0.15, 0.25, 0.05], "weight": 0.003}, {"abc": [0.3, 0.3, 0.05], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.05], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.3, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.35, 0.05], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.35, 0.05], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.05], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.45, 0.05], "weight": 0.003}, {"abc": [0.5, 0.5, 0.05], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.05], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.05], "weight": 0.006}, {"abc": [-0.3, -0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, -0.4, 0.05], "weight": 0.003}, {"abc": [-0.35, -0.4, 0.05], "weight": 0.006}, {"abc": [-0.35, -0.35, 0.05], "weight": 0.001}, {"abc": [0.1, 0.1, 0.1], "weight": 0.001}, {"abc": [0.15, 0.1, 0.1], "weight": 0.003}, {"abc": [0.2, 0.1, 0.1], "weight": 0.003}, {"abc": [0.25, 0.1, 0.1], "weight": 0.003}, {"abc": [0.3, 0.1, 0.1], "weight": 0.003}, {"abc": [0.35, 0.1, 0.1], "weight": 0.003}, {"abc": [0.4, 0.1, 0.1], "weight": 0.0015}, {"abc": [-0.1, 0.1, 0.1], "weight": 0.00075}, {"abc": [0.15, 0.15, 0.1], "weight": 0.003}, {"abc": [0.2, 0.15, 0.1], "weight": 0.006}, {"abc": [0.25, 0.15, 0.1], "weight": 0.006}, {"abc": [0.3, 0.15, 0.1], "weight": 0.006}, {"abc": [0.35, 0.15, 0.1], "weight": 0.006}, {"abc": [-0.15, 0.15, 0.1], "weight": 0.003}, {"abc": [0.2, 0.2, 0.1], "weight": 0.003}, {"abc": [0.25, 0.2, 0.1], "weight": 0.006}, {"abc": [0.3, 0.2, 0.1], "weight": 0.006}, {"abc": [0.35, 0.2, 0.1], "weight": 0.003}, {"abc": [-0.2, 0.2, 0.1], "weight": 0.003}, {"abc": [-0.15, 0.2, 0.1], "weight": 0.003}, {"abc": [0.25, 0.25, 0.1], "weight": 0.003}, {"abc": [0.3, 0.25, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.25, 0.1], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.1], "weight": 0.006}, {"abc": [0.3, 0.3, 0.1], "weight": 0.001}, {"abc": [-0.3, 0.3, 0.1], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.1], "weight": 0.006}, {"abc": [-0.2, 0.3, 0.1], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.1], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.1], "weight": 0.006}, {"abc": [-0.4, 0.4, 0.1], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.4, 0.1], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.1], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.1], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.1], "weight": 0.006}, {"abc": [0.5, 0.5, 0.1], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.5, 0.1], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.1], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.1], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.1], "weight": 0.006}, {"abc": [-0.4, -0.4, 0.1], "weight": 0.003}, {"abc": [-0.35, -0.4, 0.1], "weight": 0.003}, {"abc": [0.15, 0.15, 0.15], "weight": 0.001}, {"abc": [0.2, 0.15, 0.15], "weight": 0.003}, {"abc": [0.25, 0.15, 0.15], "weight": 0.003}, {"abc": [0.3, 0.15, 0.15], "weight": 0.003}, {"abc": [0.35, 0.15, 0.15], "weight": 0.0015}, {"abc": [-0.15, 0.15, 0.15], "weight": 0.00075}, {"abc": [0.2, 0.2, 0.15], "weight": 0.003}, {"abc": [0.25, 0.2, 0.15], "weight": 0.006}, {"abc": [0.3, 0.2, 0.15], "weight": 0.006}, {"abc": [-0.2, 0.2, 0.15], "weight": 0.003}, {"abc": [0.25, 0.25, 0.15], "weight": 0.003}, {"abc": [0.3, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.15], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.35, 0.15], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.15], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.15], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.15], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.15], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.15], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.15], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.15], "weight": 0.003}, {"abc": [0.5, 0.5, 0.15], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.15], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, -0.4, 0.15], "weight": 0.003}, {"abc": [0.2, 0.2, 0.2], "weight": 0.001}, {"abc": [0.25, 0.2, 0.2], "weight": 0.003}, {"abc": [0.3, 0.2, 0.2], "weight": 0.0015}, {"abc": [-0.2, 0.2, 0.2], "weight": 0.00075}, {"abc": [0.25, 0.25, 0.2], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.2], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.2], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.2], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.2], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.2], "weight": 0.006}, {"abc": [-0.4, 0.4, 0.2], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.2], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.2], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.2], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.2], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.2], "weight": 0.006}, {"abc": [0.5, 0.5, 0.2], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.2], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.2], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.2], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.2], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.2], "weight": 0.006}, {"abc": [-0.4, -0.4, 0.2], "weight": 0.001}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00025}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00075}, {"abc": [-0.3, 0.3, 0.25], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.25], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.25], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.25], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.25], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.25], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.25], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.25], "weight": 0.003}, {"abc": [0.5, 0.5, 0.25], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.25], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.25], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.25], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.25], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.3], "weight": 0.00075}, {"abc": [-0.35, 0.35, 0.3], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.3], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.3], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.3], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.3], "weight": 0.006}, {"abc": [0.5, 0.5, 0.3], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.3], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.3], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.3], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.35], "weight": 0.00075}, {"abc": [-0.4, 0.4, 0.35], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.35], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.35], "weight": 0.003}, {"abc": [0.5, 0.5, 0.35], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.35], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.35], "weight": 0.001}, {"abc": [-0.4, 0.4, 0.4], "weight": 0.00075}, {"abc": [-0.45, 0.45, 0.4], "weight": 0.003}, {"abc": [0.5, 0.5, 0.4], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.4], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.45], "weight": 0.00075}, {"abc": [0.5, 0.5, 0.45], "weight": 0.0015}, {"abc": [0.5, 0.5, 0.5], "weight": 0.000125}]}, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05690366, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.098122767176212, -2.098122767176212, -0.0], [-2.098122767176212, 0.0, -2.098122767176212], [-0.0, -2.098122767176212, -2.098122767176212]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -9.08009843, "e_wo_entrp": -9.08009843, "e_0_energy": 0.0, "forces": [[0.0, 0.0, -0.0]], "stress": [[5.12581975, 0.0, -0.0], [-0.0, 5.12581975, -0.0], [-0.0, -0.0, 5.12581975]], "electronic_steps": [{"alphaZ": 102.54785995, "ewald": -1058.69872826, "hartreedc": -283.31841962, "XCdc": 28.31130686, "pawpsdc": 962.50513922, "pawaedc": -938.34130716, "eentropy": 0.0, "bandstr": -58.16142168, "atom": 1321.33482025, "e_fr_energy": 76.17924955, "e_wo_entrp": 76.17924955, "e_0_energy": 76.17924955}, {"e_fr_energy": -9.45883059, "e_wo_entrp": -9.45883059, "e_0_energy": -9.45883059}, {"e_fr_energy": -10.47823863, "e_wo_entrp": -10.47823863, "e_0_energy": -10.47823863}, {"e_fr_energy": -10.48393581, "e_wo_entrp": -10.48393581, "e_0_energy": -10.48393581}, {"e_fr_energy": -10.48399553, "e_wo_entrp": -10.48399553, "e_0_energy": -10.48399553}, {"e_fr_energy": -9.09776988, "e_wo_entrp": -9.09776988, "e_0_energy": -9.09776988}, {"e_fr_energy": -9.08582997, "e_wo_entrp": -9.08582997, "e_0_energy": -9.08582997}, {"e_fr_energy": -9.08005102, "e_wo_entrp": -9.08005102, "e_0_energy": -9.08005102}, {"e_fr_energy": -9.08011398, "e_wo_entrp": -9.08011398, "e_0_energy": -9.08011398}, {"alphaZ": 102.54785995, "ewald": -1058.69872826, "hartreedc": -253.92250816, "XCdc": 27.03725633, "pawpsdc": 975.22462924, "pawaedc": -954.94198566, "eentropy": 0.0, "bandstr": -167.66144211, "atom": 1321.33482025, "e_fr_energy": -9.08009843, "e_wo_entrp": -9.08009843, "e_0_energy": -9.08009843}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}], "efermi": 5.86206946, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "energy": -9.08009843, "energy_per_atom": -9.08009843, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8621, "magnetization": [{"s": -0.0, "p": 0.0, "d": -0.0, "tot": -0.0}], "charge": [{"s": 0.357, "p": 6.238, "d": 3.073, "tot": 9.668}], "total_magnetization": 5.5e-06, "nelect": 10.9999989, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [40, 40, 40], "sampling_radii": [0.9339], "electrostatic_potential": [-46.3201]}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-11-58-29-899338", "completed_at": "2018-03-20 04:58:59.008582", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 31576.0, "Elapsed time (sec)": 28.083, "System time (sec)": 0.869, "User time (sec)": 27.106, "Total CPU time used (sec)": 27.975, "cores": "16"}, "overall": {"Total CPU time used (sec)": 27.975, "User time (sec)": 27.106, "System time (sec)": 0.869, "Elapsed time (sec)": 28.083}}, "chemsys": "V", "formula_anonymous": "A", "formula_reduced_abc": "V1", "completed_at": "2018-03-20 04:58:59.008582", "nsites": 1, "composition_unit_cell": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "elements": ["V"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05690366, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": -0.0}}]}, "density": 6.299468363320231, "energy": -9.08009843, "energy_per_atom": -9.08009843, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 04:58:59"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[20, 20, 20]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056494", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67b77"}, "dir_name": "mc0807.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-02-51-428972", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 653393, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[20, 20, 20]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05, 0.0, 0.0], "genvec2": [0.0, 0.05, 0.0], "genvec3": [0.0, 0.0, 0.05], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.000125}, {"abc": [0.05, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.1, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.15, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.2, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.25, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.3, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.35, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.4, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.45, 0.0, 0.0], "weight": 0.0015}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00075}, {"abc": [0.05, 0.05, -0.0], "weight": 0.003}, {"abc": [0.1, 0.05, 0.0], "weight": 0.006}, {"abc": [0.15, 0.05, 0.0], "weight": 0.006}, {"abc": [0.2, 0.05, 0.0], "weight": 0.006}, {"abc": [0.25, 0.05, 0.0], "weight": 0.006}, {"abc": [0.3, 0.05, 0.0], "weight": 0.006}, {"abc": [0.35, 0.05, 0.0], "weight": 0.006}, {"abc": [0.4, 0.05, 0.0], "weight": 0.006}, {"abc": [0.45, 0.05, 0.0], "weight": 0.006}, {"abc": [0.1, 0.1, -0.0], "weight": 0.003}, {"abc": [0.15, 0.1, 0.0], "weight": 0.006}, {"abc": [0.2, 0.1, 0.0], "weight": 0.006}, {"abc": [0.25, 0.1, 0.0], "weight": 0.006}, {"abc": [0.3, 0.1, 0.0], "weight": 0.006}, {"abc": [0.35, 0.1, 0.0], "weight": 0.006}, {"abc": [0.4, 0.1, 0.0], "weight": 0.006}, {"abc": [0.45, 0.1, 0.0], "weight": 0.003}, {"abc": [0.15, 0.15, 0.0], "weight": 0.003}, {"abc": [0.2, 0.15, -0.0], "weight": 0.006}, {"abc": [0.25, 0.15, 0.0], "weight": 0.006}, {"abc": [0.3, 0.15, -0.0], "weight": 0.006}, {"abc": [0.35, 0.15, 0.0], "weight": 0.006}, {"abc": [0.4, 0.15, 0.0], "weight": 0.006}, {"abc": [0.2, 0.2, 0.0], "weight": 0.003}, {"abc": [0.25, 0.2, 0.0], "weight": 0.006}, {"abc": [0.3, 0.2, 0.0], "weight": 0.006}, {"abc": [0.35, 0.2, -0.0], "weight": 0.006}, {"abc": [0.4, 0.2, 0.0], "weight": 0.003}, {"abc": [0.25, 0.25, 0.0], "weight": 0.003}, {"abc": [0.3, 0.25, -0.0], "weight": 0.006}, {"abc": [0.35, 0.25, 0.0], "weight": 0.006}, {"abc": [0.3, 0.3, 0.0], "weight": 0.003}, {"abc": [0.35, 0.3, 0.0], "weight": 0.003}, {"abc": [0.05, 0.05, 0.05], "weight": 0.001}, {"abc": [0.1, 0.05, 0.05], "weight": 0.003}, {"abc": [0.15, 0.05, 0.05], "weight": 0.003}, {"abc": [0.2, 0.05, 0.05], "weight": 0.003}, {"abc": [0.25, 0.05, 0.05], "weight": 0.003}, {"abc": [0.3, 0.05, 0.05], "weight": 0.003}, {"abc": [0.35, 0.05, 0.05], "weight": 0.003}, {"abc": [0.4, 0.05, 0.05], "weight": 0.003}, {"abc": [0.45, 0.05, 0.05], "weight": 0.0015}, {"abc": [-0.05, 0.05, 0.05], "weight": 0.00075}, {"abc": [0.1, 0.1, 0.05], "weight": 0.003}, {"abc": [0.15, 0.1, 0.05], "weight": 0.006}, {"abc": [0.2, 0.1, 0.05], "weight": 0.006}, {"abc": [0.25, 0.1, 0.05], "weight": 0.006}, {"abc": [0.3, 0.1, 0.05], "weight": 0.006}, {"abc": [0.35, 0.1, 0.05], "weight": 0.006}, {"abc": [0.4, 0.1, 0.05], "weight": 0.006}, {"abc": [-0.1, 0.1, 0.05], "weight": 0.003}, {"abc": [0.15, 0.15, 0.05], "weight": 0.003}, {"abc": [0.2, 0.15, 0.05], "weight": 0.006}, {"abc": [0.25, 0.15, 0.05], "weight": 0.006}, {"abc": [0.3, 0.15, 0.05], "weight": 0.006}, {"abc": [0.35, 0.15, 0.05], "weight": 0.006}, {"abc": [0.4, 0.15, 0.05], "weight": 0.003}, {"abc": [-0.15, 0.15, 0.05], "weight": 0.003}, {"abc": [-0.1, 0.15, 0.05], "weight": 0.003}, {"abc": [0.2, 0.2, 0.05], "weight": 0.003}, {"abc": [0.25, 0.2, 0.05], "weight": 0.006}, {"abc": [0.3, 0.2, 0.05], "weight": 0.006}, {"abc": [0.35, 0.2, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.2, 0.05], "weight": 0.003}, {"abc": [-0.15, 0.2, 0.05], "weight": 0.006}, {"abc": [0.25, 0.25, 0.05], "weight": 0.003}, {"abc": [0.3, 0.25, 0.05], "weight": 0.006}, {"abc": [0.35, 0.25, 0.05], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.05], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.05], "weight": 0.006}, {"abc": [-0.15, 0.25, 0.05], "weight": 0.003}, {"abc": [0.3, 0.3, 0.05], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.05], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.3, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.35, 0.05], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.05], "weight": 0.006}, {"abc": [-0.2, 0.35, 0.05], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.05], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.4, 0.05], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.05], "weight": 0.006}, {"abc": [-0.25, 0.45, 0.05], "weight": 0.003}, {"abc": [0.5, 0.5, 0.05], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.3, 0.5, 0.05], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.05], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.05], "weight": 0.006}, {"abc": [-0.3, -0.45, 0.05], "weight": 0.003}, {"abc": [-0.4, -0.4, 0.05], "weight": 0.003}, {"abc": [-0.35, -0.4, 0.05], "weight": 0.006}, {"abc": [-0.35, -0.35, 0.05], "weight": 0.001}, {"abc": [0.1, 0.1, 0.1], "weight": 0.001}, {"abc": [0.15, 0.1, 0.1], "weight": 0.003}, {"abc": [0.2, 0.1, 0.1], "weight": 0.003}, {"abc": [0.25, 0.1, 0.1], "weight": 0.003}, {"abc": [0.3, 0.1, 0.1], "weight": 0.003}, {"abc": [0.35, 0.1, 0.1], "weight": 0.003}, {"abc": [0.4, 0.1, 0.1], "weight": 0.0015}, {"abc": [-0.1, 0.1, 0.1], "weight": 0.00075}, {"abc": [0.15, 0.15, 0.1], "weight": 0.003}, {"abc": [0.2, 0.15, 0.1], "weight": 0.006}, {"abc": [0.25, 0.15, 0.1], "weight": 0.006}, {"abc": [0.3, 0.15, 0.1], "weight": 0.006}, {"abc": [0.35, 0.15, 0.1], "weight": 0.006}, {"abc": [-0.15, 0.15, 0.1], "weight": 0.003}, {"abc": [0.2, 0.2, 0.1], "weight": 0.003}, {"abc": [0.25, 0.2, 0.1], "weight": 0.006}, {"abc": [0.3, 0.2, 0.1], "weight": 0.006}, {"abc": [0.35, 0.2, 0.1], "weight": 0.003}, {"abc": [-0.2, 0.2, 0.1], "weight": 0.003}, {"abc": [-0.15, 0.2, 0.1], "weight": 0.003}, {"abc": [0.25, 0.25, 0.1], "weight": 0.003}, {"abc": [0.3, 0.25, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.25, 0.1], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.1], "weight": 0.006}, {"abc": [0.3, 0.3, 0.1], "weight": 0.001}, {"abc": [-0.3, 0.3, 0.1], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.1], "weight": 0.006}, {"abc": [-0.2, 0.3, 0.1], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.1], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.1], "weight": 0.006}, {"abc": [-0.4, 0.4, 0.1], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.1], "weight": 0.006}, {"abc": [-0.25, 0.4, 0.1], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.1], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.1], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.1], "weight": 0.006}, {"abc": [0.5, 0.5, 0.1], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.1], "weight": 0.006}, {"abc": [-0.3, 0.5, 0.1], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.1], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.1], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.1], "weight": 0.006}, {"abc": [-0.4, -0.4, 0.1], "weight": 0.003}, {"abc": [-0.35, -0.4, 0.1], "weight": 0.003}, {"abc": [0.15, 0.15, 0.15], "weight": 0.001}, {"abc": [0.2, 0.15, 0.15], "weight": 0.003}, {"abc": [0.25, 0.15, 0.15], "weight": 0.003}, {"abc": [0.3, 0.15, 0.15], "weight": 0.003}, {"abc": [0.35, 0.15, 0.15], "weight": 0.0015}, {"abc": [-0.15, 0.15, 0.15], "weight": 0.00075}, {"abc": [0.2, 0.2, 0.15], "weight": 0.003}, {"abc": [0.25, 0.2, 0.15], "weight": 0.006}, {"abc": [0.3, 0.2, 0.15], "weight": 0.006}, {"abc": [-0.2, 0.2, 0.15], "weight": 0.003}, {"abc": [0.25, 0.25, 0.15], "weight": 0.003}, {"abc": [0.3, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.2, 0.25, 0.15], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.15], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.35, 0.15], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.15], "weight": 0.006}, {"abc": [-0.25, 0.35, 0.15], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.15], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.15], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.15], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.15], "weight": 0.006}, {"abc": [-0.3, 0.45, 0.15], "weight": 0.003}, {"abc": [0.5, 0.5, 0.15], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.15], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.15], "weight": 0.006}, {"abc": [-0.35, -0.45, 0.15], "weight": 0.003}, {"abc": [-0.4, -0.4, 0.15], "weight": 0.003}, {"abc": [0.2, 0.2, 0.2], "weight": 0.001}, {"abc": [0.25, 0.2, 0.2], "weight": 0.003}, {"abc": [0.3, 0.2, 0.2], "weight": 0.0015}, {"abc": [-0.2, 0.2, 0.2], "weight": 0.00075}, {"abc": [0.25, 0.25, 0.2], "weight": 0.003}, {"abc": [-0.25, 0.25, 0.2], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.2], "weight": 0.003}, {"abc": [-0.25, 0.3, 0.2], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.2], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.2], "weight": 0.006}, {"abc": [-0.4, 0.4, 0.2], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.2], "weight": 0.006}, {"abc": [-0.3, 0.4, 0.2], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.2], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.2], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.2], "weight": 0.006}, {"abc": [0.5, 0.5, 0.2], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.2], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.2], "weight": 0.006}, {"abc": [-0.35, 0.5, 0.2], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.2], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.2], "weight": 0.006}, {"abc": [-0.4, -0.4, 0.2], "weight": 0.001}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00025}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00075}, {"abc": [-0.3, 0.3, 0.25], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.25], "weight": 0.003}, {"abc": [-0.3, 0.35, 0.25], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.25], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.25], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.25], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.25], "weight": 0.006}, {"abc": [-0.35, 0.45, 0.25], "weight": 0.003}, {"abc": [0.5, 0.5, 0.25], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.25], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.25], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.25], "weight": 0.003}, {"abc": [-0.4, -0.45, 0.25], "weight": 0.003}, {"abc": [-0.3, 0.3, 0.3], "weight": 0.00075}, {"abc": [-0.35, 0.35, 0.3], "weight": 0.003}, {"abc": [-0.4, 0.4, 0.3], "weight": 0.003}, {"abc": [-0.35, 0.4, 0.3], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.3], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.3], "weight": 0.006}, {"abc": [0.5, 0.5, 0.3], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.3], "weight": 0.006}, {"abc": [-0.4, 0.5, 0.3], "weight": 0.003}, {"abc": [-0.45, -0.45, 0.3], "weight": 0.003}, {"abc": [-0.35, 0.35, 0.35], "weight": 0.00075}, {"abc": [-0.4, 0.4, 0.35], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.35], "weight": 0.003}, {"abc": [-0.4, 0.45, 0.35], "weight": 0.003}, {"abc": [0.5, 0.5, 0.35], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.35], "weight": 0.006}, {"abc": [-0.45, -0.45, 0.35], "weight": 0.001}, {"abc": [-0.4, 0.4, 0.4], "weight": 0.00075}, {"abc": [-0.45, 0.45, 0.4], "weight": 0.003}, {"abc": [0.5, 0.5, 0.4], "weight": 0.0015}, {"abc": [-0.45, 0.5, 0.4], "weight": 0.003}, {"abc": [-0.45, 0.45, 0.45], "weight": 0.00075}, {"abc": [0.5, 0.5, 0.45], "weight": 0.0015}, {"abc": [0.5, 0.5, 0.5], "weight": 0.000125}]}, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05690366, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.098122767176212, -2.098122767176212, -0.0], [-2.098122767176212, 0.0, -2.098122767176212], [-0.0, -2.098122767176212, -2.098122767176212]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -9.08009843, "e_wo_entrp": -9.08009843, "e_0_energy": 0.0, "forces": [[0.0, 0.0, -0.0]], "stress": [[5.12581975, 0.0, -0.0], [-0.0, 5.12581975, -0.0], [-0.0, -0.0, 5.12581975]], "electronic_steps": [{"alphaZ": 102.54785995, "ewald": -1058.69872826, "hartreedc": -283.31841962, "XCdc": 28.31130686, "pawpsdc": 962.50513922, "pawaedc": -938.34130716, "eentropy": 0.0, "bandstr": -58.16142168, "atom": 1321.33482025, "e_fr_energy": 76.17924955, "e_wo_entrp": 76.17924955, "e_0_energy": 76.17924955}, {"e_fr_energy": -9.45883059, "e_wo_entrp": -9.45883059, "e_0_energy": -9.45883059}, {"e_fr_energy": -10.47823863, "e_wo_entrp": -10.47823863, "e_0_energy": -10.47823863}, {"e_fr_energy": -10.48393581, "e_wo_entrp": -10.48393581, "e_0_energy": -10.48393581}, {"e_fr_energy": -10.48399553, "e_wo_entrp": -10.48399553, "e_0_energy": -10.48399553}, {"e_fr_energy": -9.09776988, "e_wo_entrp": -9.09776988, "e_0_energy": -9.09776988}, {"e_fr_energy": -9.08582997, "e_wo_entrp": -9.08582997, "e_0_energy": -9.08582997}, {"e_fr_energy": -9.08005102, "e_wo_entrp": -9.08005102, "e_0_energy": -9.08005102}, {"e_fr_energy": -9.08011398, "e_wo_entrp": -9.08011398, "e_0_energy": -9.08011398}, {"alphaZ": 102.54785995, "ewald": -1058.69872826, "hartreedc": -253.92250816, "XCdc": 27.03725633, "pawpsdc": 975.22462924, "pawaedc": -954.94198566, "eentropy": 0.0, "bandstr": -167.66144211, "atom": 1321.33482025, "e_fr_energy": -9.08009843, "e_wo_entrp": -9.08009843, "e_0_energy": -9.08009843}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}], "efermi": 5.86206946, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "energy": -9.08009843, "energy_per_atom": -9.08009843, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8621, "magnetization": [{"s": -0.0, "p": 0.0, "d": -0.0, "tot": -0.0}], "charge": [{"s": 0.357, "p": 6.238, "d": 3.073, "tot": 9.668}], "total_magnetization": 5.5e-06, "nelect": 10.9999989, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [40, 40, 40], "sampling_radii": [0.9339], "electrostatic_potential": [-46.3201]}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-02-51-428972", "completed_at": "2018-03-20 05:03:20.540798", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 31748.0, "Elapsed time (sec)": 28.059, "System time (sec)": 0.833, "User time (sec)": 27.127, "Total CPU time used (sec)": 27.96, "cores": "16"}, "overall": {"Total CPU time used (sec)": 27.96, "User time (sec)": 27.127, "System time (sec)": 0.833, "Elapsed time (sec)": 28.059}}, "chemsys": "V", "formula_anonymous": "A", "formula_reduced_abc": "V1", "completed_at": "2018-03-20 05:03:20.540798", "nsites": 1, "composition_unit_cell": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "elements": ["V"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05690366, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": -0.0}}]}, "density": 6.299468363320231, "energy": -9.08009843, "energy_per_atom": -9.08009843, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:03:20"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.497335, -1.497335, 1.497335], [-1.497335, 1.497335, -1.497335], [1.497335, -1.497335, -1.497335]], "a": 2.593460295951145, "b": 2.593460295951145, "c": 2.593460295951145, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.428172764340284}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[20, 20, 20]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056533", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67ba5"}, "dir_name": "mc0807.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-04-40-595021", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185747, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-04-40-595021", "completed_at": "2018-03-20 05:05:25.367335", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33404.0, "Elapsed time (sec)": 43.603, "System time (sec)": 0.848, "User time (sec)": 42.541, "Total CPU time used (sec)": 43.388, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.388, "User time (sec)": 42.541, "System time (sec)": 0.848, "Elapsed time (sec)": 43.603}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:05:25.367335", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:05:25"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056550", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67aa4"}, "dir_name": "mc0660.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-58-199614/launcher_2018-03-20-12-06-07-047412", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185731, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-58-199614/launcher_2018-03-20-12-06-07-047412", "completed_at": "2018-03-20 05:06:51.670027", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32764.0, "Elapsed time (sec)": 43.599, "System time (sec)": 0.82, "User time (sec)": 42.572, "Total CPU time used (sec)": 43.391, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.391, "User time (sec)": 42.572, "System time (sec)": 0.82, "Elapsed time (sec)": 43.599}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:06:51.670027", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:06:51"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056563", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67ae0"}, "dir_name": "mc0631.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-37-263877/launcher_2018-03-20-12-12-51-993679", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185729, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-37-263877/launcher_2018-03-20-12-12-51-993679", "completed_at": "2018-03-20 05:13:36.532682", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32604.0, "Elapsed time (sec)": 43.477, "System time (sec)": 0.8, "User time (sec)": 42.594, "Total CPU time used (sec)": 43.393, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.393, "User time (sec)": 42.594, "System time (sec)": 0.8, "Elapsed time (sec)": 43.477}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:13:36.532682", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:13:36"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056625", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67aea"}, "dir_name": "mc0627.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-32-030747/launcher_2018-03-20-12-13-52-772997", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185752, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-32-030747/launcher_2018-03-20-12-13-52-772997", "completed_at": "2018-03-20 05:14:37.595204", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33188.0, "Elapsed time (sec)": 43.728, "System time (sec)": 0.842, "User time (sec)": 42.563, "Total CPU time used (sec)": 43.404, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.404, "User time (sec)": 42.563, "System time (sec)": 0.842, "Elapsed time (sec)": 43.728}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:14:37.595204", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:14:37"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056636", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67aff"}, "dir_name": "mc0807.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-14-06-469042", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185744, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-14-06-469042", "completed_at": "2018-03-20 05:14:51.217472", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33196.0, "Elapsed time (sec)": 43.686, "System time (sec)": 0.811, "User time (sec)": 42.683, "Total CPU time used (sec)": 43.493, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.493, "User time (sec)": 42.683, "System time (sec)": 0.811, "Elapsed time (sec)": 43.686}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:14:51.217472", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:14:51"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056639", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67b04"}, "dir_name": "mc0813.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-26-789162/launcher_2018-03-20-12-15-41-590538", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185741, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-26-789162/launcher_2018-03-20-12-15-41-590538", "completed_at": "2018-03-20 05:16:26.354043", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32600.0, "Elapsed time (sec)": 43.654, "System time (sec)": 0.821, "User time (sec)": 42.699, "Total CPU time used (sec)": 43.519, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.519, "User time (sec)": 42.699, "System time (sec)": 0.821, "Elapsed time (sec)": 43.654}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:16:26.354043", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:16:26"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056654", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67b12"}, "dir_name": "mc0858.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-36-738465/launcher_2018-03-20-12-17-22-924274", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185748, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-36-738465/launcher_2018-03-20-12-17-22-924274", "completed_at": "2018-03-20 05:18:07.624762", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32872.0, "Elapsed time (sec)": 43.645, "System time (sec)": 0.825, "User time (sec)": 42.637, "Total CPU time used (sec)": 43.461, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.461, "User time (sec)": 42.637, "System time (sec)": 0.825, "Elapsed time (sec)": 43.645}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:18:07.624762", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:18:07"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056662", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67b2e"}, "dir_name": "mc0807.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-19-29-795735", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185721, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-19-29-795735", "completed_at": "2018-03-20 05:20:14.507162", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 31952.0, "Elapsed time (sec)": 43.676, "System time (sec)": 0.836, "User time (sec)": 42.651, "Total CPU time used (sec)": 43.486, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.486, "User time (sec)": 42.651, "System time (sec)": 0.836, "Elapsed time (sec)": 43.676}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:20:14.507162", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:20:14"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056678", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67b5d"}, "dir_name": "mc0807.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-24-53-264672", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185751, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-24-53-264672", "completed_at": "2018-03-20 05:25:37.779581", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32648.0, "Elapsed time (sec)": 43.476, "System time (sec)": 0.782, "User time (sec)": 42.567, "Total CPU time used (sec)": 43.348, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.348, "User time (sec)": 42.567, "System time (sec)": 0.782, "Elapsed time (sec)": 43.476}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:25:37.779581", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:25:37"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056719", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67b87"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-12-29-34-775459", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185728, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-12-29-34-775459", "completed_at": "2018-03-20 05:30:19.509796", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32796.0, "Elapsed time (sec)": 43.662, "System time (sec)": 0.866, "User time (sec)": 42.632, "Total CPU time used (sec)": 43.497, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.497, "User time (sec)": 42.632, "System time (sec)": 0.866, "Elapsed time (sec)": 43.662}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:30:19.509796", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:30:19"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056752", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67c3a"}, "dir_name": "mc0833.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-12-35-51-625701", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185739, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-26-269551/launcher_2018-03-20-12-35-51-625701", "completed_at": "2018-03-20 05:36:36.337911", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33108.0, "Elapsed time (sec)": 43.6, "System time (sec)": 0.842, "User time (sec)": 42.647, "Total CPU time used (sec)": 43.488, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.488, "User time (sec)": 42.647, "System time (sec)": 0.842, "Elapsed time (sec)": 43.6}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:36:36.337911", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:36:36"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056816", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67c43"}, "dir_name": "mc0856.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-31-505604/launcher_2018-03-20-12-35-52-516586", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185745, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-10-21-31-505604/launcher_2018-03-20-12-35-52-516586", "completed_at": "2018-03-20 05:36:37.091752", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 32776.0, "Elapsed time (sec)": 43.48, "System time (sec)": 0.866, "User time (sec)": 42.44, "Total CPU time used (sec)": 43.305, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.305, "User time (sec)": 42.44, "System time (sec)": 0.866, "Elapsed time (sec)": 43.48}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:36:37.091752", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:36:37"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056818", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67c4d"}, "dir_name": "mc0819.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-12-21-15-477739/launcher_2018-03-20-12-36-29-886551", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185754, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-12-21-15-477739/launcher_2018-03-20-12-36-29-886551", "completed_at": "2018-03-20 05:37:14.758309", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33172.0, "Elapsed time (sec)": 43.732, "System time (sec)": 0.832, "User time (sec)": 42.694, "Total CPU time used (sec)": 43.525, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.525, "User time (sec)": 42.694, "System time (sec)": 0.832, "Elapsed time (sec)": 43.732}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:37:14.758309", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:37:14"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056822", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67c4e"}, "dir_name": "mc0807.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-36-30-050675", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185730, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-47-731334/launcher_2018-03-20-12-36-30-050675", "completed_at": "2018-03-20 05:37:14.819694", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33040.0, "Elapsed time (sec)": 43.639, "System time (sec)": 0.848, "User time (sec)": 42.604, "Total CPU time used (sec)": 43.451, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.451, "User time (sec)": 42.604, "System time (sec)": 0.848, "Elapsed time (sec)": 43.639}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:37:14.819694", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:37:14"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056823", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67c83"}, "dir_name": "mc0660.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-58-199614/launcher_2018-03-20-12-37-34-764125", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 185740, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04545455, 0.0, 0.0], "genvec2": [0.0, 0.04545455, 0.0], "genvec3": [0.0, 0.0, 0.04545455], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 9.391e-05}, {"abc": [0.04545455, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.13636364, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.22727273, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.31818182, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.40909091, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00037566}, {"abc": [0.04545455, 0.04545455, 0.0], "weight": 0.00056349}, {"abc": [0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.04545455, 0.0], "weight": 0.00225394}, {"abc": [-0.04545455, 0.04545455, 0.0], "weight": 0.00112697}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00056349}, {"abc": [0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.09090909, 0.0], "weight": 0.00225394}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00112697}, {"abc": [0.13636364, 0.13636364, 0.0], "weight": 0.00056349}, {"abc": [0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.13636364, 0.0], "weight": 0.00225394}, {"abc": [-0.13636364, 0.13636364, 0.0], "weight": 0.00112697}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00056349}, {"abc": [0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.18181818, 0.0], "weight": 0.00225394}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00112697}, {"abc": [0.22727273, 0.22727273, 0.0], "weight": 0.00056349}, {"abc": [0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.22727273, 0.0], "weight": 0.00225394}, {"abc": [-0.22727273, 0.22727273, 0.0], "weight": 0.00112697}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00056349}, {"abc": [0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.27272727, 0.0], "weight": 0.00225394}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00112697}, {"abc": [0.31818182, 0.31818182, 0.0], "weight": 0.00056349}, {"abc": [0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.31818182, 0.0], "weight": 0.00225394}, {"abc": [-0.31818182, 0.31818182, 0.0], "weight": 0.00112697}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00056349}, {"abc": [0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.0], "weight": 0.00225394}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00112697}, {"abc": [0.40909091, 0.40909091, 0.0], "weight": 0.00056349}, {"abc": [0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.0], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.0], "weight": 0.00112697}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00056349}, {"abc": [0.5, 0.45454545, 0.0], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00112697}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00028174}, {"abc": [0.13636364, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.22727273, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.09090909, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.09090909, 0.04545455], "weight": 0.00225394}, {"abc": [0.18181818, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.13636364, 0.04545455], "weight": 0.00450789}, {"abc": [-0.09090909, 0.13636364, 0.04545455], "weight": 0.00225394}, {"abc": [0.22727273, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.18181818, 0.04545455], "weight": 0.00450789}, {"abc": [-0.13636364, 0.18181818, 0.04545455], "weight": 0.00225394}, {"abc": [0.27272727, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.04545455], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.04545455], "weight": 0.00225394}, {"abc": [0.31818182, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.04545455], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.04545455], "weight": 0.00225394}, {"abc": [0.36363636, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.04545455], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.04545455], "weight": 0.00225394}, {"abc": [0.40909091, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [0.5, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.04545455], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.04545455], "weight": 0.00225394}, {"abc": [0.45454545, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.45454545, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.04545455], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.04545455], "weight": 0.00225394}, {"abc": [0.5, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.04545455], "weight": 0.00450789}, {"abc": [-0.40909091, 0.45454545, 0.04545455], "weight": 0.00225394}, {"abc": [-0.45454545, 0.5, 0.04545455], "weight": 0.00112697}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.18181818, 0.09090909], "weight": 0.00225394}, {"abc": [0.31818182, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.22727273, 0.09090909], "weight": 0.00450789}, {"abc": [-0.13636364, 0.22727273, 0.09090909], "weight": 0.00225394}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.27272727, 0.09090909], "weight": 0.00450789}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00225394}, {"abc": [0.40909091, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [0.5, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.09090909], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.09090909], "weight": 0.00225394}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.09090909], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00225394}, {"abc": [0.5, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.40909091, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.09090909], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.09090909], "weight": 0.00225394}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.09090909], "weight": 0.00450789}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00225394}, {"abc": [-0.40909091, 0.5, 0.09090909], "weight": 0.00112697}, {"abc": [0.40909091, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [0.5, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.27272727, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.27272727, 0.13636364], "weight": 0.00225394}, {"abc": [0.45454545, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.45454545, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.31818182, 0.13636364], "weight": 0.00450789}, {"abc": [-0.18181818, 0.31818182, 0.13636364], "weight": 0.00225394}, {"abc": [0.5, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.40909091, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.36363636, 0.13636364], "weight": 0.00450789}, {"abc": [-0.22727273, 0.36363636, 0.13636364], "weight": 0.00225394}, {"abc": [-0.45454545, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.36363636, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.13636364], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.13636364], "weight": 0.00225394}, {"abc": [-0.40909091, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.13636364], "weight": 0.00450789}, {"abc": [-0.31818182, 0.45454545, 0.13636364], "weight": 0.00225394}, {"abc": [-0.36363636, 0.5, 0.13636364], "weight": 0.00112697}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.36363636, 0.18181818], "weight": 0.00225394}, {"abc": [-0.40909091, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.31818182, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.40909091, 0.18181818], "weight": 0.00450789}, {"abc": [-0.22727273, 0.40909091, 0.18181818], "weight": 0.00225394}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.45454545, 0.18181818], "weight": 0.00450789}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00225394}, {"abc": [-0.31818182, 0.5, 0.18181818], "weight": 0.00112697}, {"abc": [-0.31818182, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.45454545, 0.22727273], "weight": 0.00225394}, {"abc": [-0.27272727, 0.5, 0.22727273], "weight": 0.00112697}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.8013120283785247, -1.8013120283785247, 1.8013120283785247], [-1.8013120283785247, 1.8013120283785247, -1.8013120283785247], [1.8013120283785247, -1.8013120283785247, -1.8013120283785247]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, -0.0]], "stress": [[-3.12123121, 0.0, -0.0], [0.0, -3.12123121, 0.0], [-0.0, 0.0, -3.12123121]], "electronic_steps": [{"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -557.91482807, "XCdc": 71.74794026, "pawpsdc": 1836.1593107, "pawaedc": -1924.45713638, "eentropy": 0.0, "bandstr": -132.77127904, "atom": 2456.89122314, "e_fr_energy": 79.91167566, "e_wo_entrp": 79.91167566, "e_0_energy": 79.91167566}, {"e_fr_energy": -8.22200102, "e_wo_entrp": -8.22200102, "e_0_energy": -8.22200102}, {"e_fr_energy": -9.73897962, "e_wo_entrp": -9.73897962, "e_0_energy": -9.73897962}, {"e_fr_energy": -9.74982164, "e_wo_entrp": -9.74982164, "e_0_energy": -9.74982164}, {"e_fr_energy": -9.74996341, "e_wo_entrp": -9.74996341, "e_0_energy": -9.74996341}, {"e_fr_energy": -8.48212739, "e_wo_entrp": -8.48212739, "e_0_energy": -8.48212739}, {"e_fr_energy": -8.30856503, "e_wo_entrp": -8.30856503, "e_0_energy": -8.30856503}, {"e_fr_energy": -8.29576762, "e_wo_entrp": -8.29576762, "e_0_energy": -8.29576762}, {"e_fr_energy": -8.29679806, "e_wo_entrp": -8.29679806, "e_0_energy": -8.29679806}, {"e_fr_energy": -8.29817585, "e_wo_entrp": -8.29817585, "e_0_energy": -8.29817585}, {"e_fr_energy": -8.30041753, "e_wo_entrp": -8.30041753, "e_0_energy": -8.30041753}, {"e_fr_energy": -8.30085065, "e_wo_entrp": -8.30085065, "e_0_energy": -8.30085065}, {"e_fr_energy": -8.30069498, "e_wo_entrp": -8.30069498, "e_0_energy": -8.30069498}, {"e_fr_energy": -8.30086701, "e_wo_entrp": -8.30086701, "e_0_energy": -8.30086701}, {"e_fr_energy": -8.30091922, "e_wo_entrp": -8.30091922, "e_0_energy": -8.30091922}, {"alphaZ": 185.14364736, "ewald": -1854.88720232, "hartreedc": -520.73412744, "XCdc": 70.1701598, "pawpsdc": 1883.21695902, "pawaedc": -1973.73255512, "eentropy": 0.0, "bandstr": -254.36902921, "atom": 2456.89122314, "e_fr_energy": -8.30092476, "e_wo_entrp": -8.30092476, "e_0_energy": -8.30092476}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.96345418, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.30092476, "energy_per_atom": -8.30092476, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9635, "magnetization": [{"s": -0.003, "p": -0.015, "d": 1.054, "tot": 1.036}], "charge": [{"s": 0.412, "p": 6.433, "d": 6.091, "tot": 12.936}], "total_magnetization": 1.0341374, "nelect": 13.999999, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.0497]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-58-199614/launcher_2018-03-20-12-37-34-764125", "completed_at": "2018-03-20 05:38:19.707830", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 33012.0, "Elapsed time (sec)": 43.625, "System time (sec)": 0.79, "User time (sec)": 42.641, "Total CPU time used (sec)": 43.43, "cores": "16"}, "overall": {"Total CPU time used (sec)": 43.43, "User time (sec)": 42.641, "System time (sec)": 0.79, "Elapsed time (sec)": 43.625}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:38:19.707830", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [1.027], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.04e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.36596163, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [1.027], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.036}}]}, "density": 8.74018487804595, "energy": -8.30092476, "energy_per_atom": -8.30092476, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:38:19"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.744058, -1.744058, 0.0], [-1.744058, 0.0, -1.744058], [0.0, -1.744058, -1.744058]], "a": 2.4664704771652954, "b": 2.4664704771652954, "c": 2.4664704771652954, "alpha": 59.99999999999999, "beta": 59.99999999999999, "gamma": 59.99999999999999, "volume": 10.60993605772929}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [1.027], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1056835", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f812e927b78dbe67c68"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-12-49-24-792048", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191819, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.15319238, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.551910040890923, -1.473122417992333, -0.0], [-2.551910040890923, 1.473122417992333, -0.0], [-0.0, 0.0, -1.608518910145911]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231075, -2.132608, 0.0], [-1.231075, 2.132608, 0.0], [0.0, 0.0, -3.906193]], "a": 2.462430209628082, "b": 2.462430209628082, "c": 3.906193, "alpha": 90.0, "beta": 90.0, "gamma": 120.00752840349645, "volume": 20.510641279355127}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.231075, -0.7109048767999999, -2.92964475], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.231075, 0.7109048767999999, -0.97654825], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74479892, "e_wo_entrp": -16.74479892, "e_0_energy": 0.0, "forces": [[0.0, 0.00066381, -0.0], [0.0, -0.00066381, 0.0]], "stress": [[-3.20597323, 0.0, 0.0], [0.0, -3.73485257, -0.0], [0.0, 0.0, -17.11231557]], "electronic_steps": [{"alphaZ": 383.09133942, "ewald": -3751.42606064, "hartreedc": -1094.30809534, "XCdc": 143.58189242, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -153.90316381, "atom": 4913.78244629, "e_fr_energy": 264.20462797, "e_wo_entrp": 264.20462797, "e_0_energy": 264.20462797}, {"e_fr_energy": -7.87893187, "e_wo_entrp": -7.87893187, "e_0_energy": -7.87893187}, {"e_fr_energy": -19.6361399, "e_wo_entrp": -19.6361399, "e_0_energy": -19.6361399}, {"e_fr_energy": -19.82904929, "e_wo_entrp": -19.82904929, "e_0_energy": -19.82904929}, {"e_fr_energy": -19.8353268, "e_wo_entrp": -19.8353268, "e_0_energy": -19.8353268}, {"e_fr_energy": -17.08174948, "e_wo_entrp": -17.08174948, "e_0_energy": -17.08174948}, {"e_fr_energy": -16.77093667, "e_wo_entrp": -16.77093667, "e_0_energy": -16.77093667}, {"e_fr_energy": -16.74495542, "e_wo_entrp": -16.74495542, "e_0_energy": -16.74495542}, {"e_fr_energy": -16.74480614, "e_wo_entrp": -16.74480614, "e_0_energy": -16.74480614}, {"alphaZ": 383.09133942, "ewald": -3751.42606064, "hartreedc": -1019.04369234, "XCdc": 140.2745743, "pawpsdc": 3787.66922949, "pawaedc": -3968.2292969, "eentropy": 0.0, "bandstr": -502.86333855, "atom": 4913.78244629, "e_fr_energy": -16.74479892, "e_wo_entrp": -16.74479892, "e_0_energy": -16.74479892}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231075, -2.132608, 0.0], [-1.231075, 2.132608, 0.0], [0.0, 0.0, -3.906193]], "a": 2.462430209628082, "b": 2.462430209628082, "c": 3.906193, "alpha": 90.0, "beta": 90.0, "gamma": 120.00752840349645, "volume": 20.510641279355127}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.231075, -0.7109048767999999, -2.92964475], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.231075, 0.7109048767999999, -0.97654825], "label": "Fe"}]}}], "efermi": 6.25832414, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231075, -2.132608, 0.0], [-1.231075, 2.132608, 0.0], [0.0, 0.0, -3.906193]], "a": 2.462430209628082, "b": 2.462430209628082, "c": 3.906193, "alpha": 90.0, "beta": 90.0, "gamma": 120.00752840349645, "volume": 20.510641279355127}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.231075, -0.7109048767999999, -2.92964475], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.231075, 0.7109048767999999, -0.97654825], "label": "Fe"}]}, "energy": -16.74479892, "energy_per_atom": -8.37239946, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.2583, "magnetization": [{"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 0.423, "p": 6.458, "d": 6.119, "tot": 13.0}, {"s": 0.423, "p": 6.458, "d": 6.119, "tot": 13.0}], "total_magnetization": -3.9e-06, "nelect": 27.9999988, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8462, -44.8462]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-12-49-24-792048", "completed_at": "2018-03-20 05:51:56.895760", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 64088.0, "Elapsed time (sec)": 150.682, "System time (sec)": 2.832, "User time (sec)": 147.306, "Total CPU time used (sec)": 150.137, "cores": "16"}, "overall": {"Total CPU time used (sec)": 150.137, "User time (sec)": 147.306, "System time (sec)": 2.832, "Elapsed time (sec)": 150.682}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 05:51:56.895760", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231075, -2.132608, 0.0], [-1.231075, 2.132608, 0.0], [0.0, 0.0, -3.906193]], "a": 2.462430209628082, "b": 2.462430209628082, "c": 3.906193, "alpha": 90.0, "beta": 90.0, "gamma": 120.00752840349645, "volume": 20.510641279355127}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.231075, -0.7109048767999999, -2.92964475], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.231075, 0.7109048767999999, -0.97654825], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.15319238, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.231075, -2.132608, 0.0], [-1.231075, 2.132608, 0.0], [0.0, 0.0, -3.906193]], "a": 2.462430209628082, "b": 2.462430209628082, "c": 3.906193, "alpha": 90.0, "beta": 90.0, "gamma": 120.00752840349645, "volume": 20.510641279355127}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.231075, -0.7109048767999999, -2.92964475], "label": "Fe", "properties": {"magmom": 0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.231075, 0.7109048767999999, -0.97654825], "label": "Fe", "properties": {"magmom": 0.0}}]}, "density": 9.04240890626269, "energy": -16.74479892, "energy_per_atom": -8.37239946, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 05:51:56"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231075, -2.132608, 0.0], [-1.231075, 2.132608, -0.0], [0.0, -0.0, -3.906193]], "a": 2.462430209628082, "b": 2.462430209628082, "c": 3.906193, "alpha": 90.0, "beta": 90.0, "gamma": 120.00752840349645, "volume": 20.510641279355127}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.231075, -0.7109048767999999, -2.92964475], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.231075, 0.7109048767999999, -0.97654825], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0, 0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1057027", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f912e927b78dbe67d96"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-13-05-01-518638", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191818, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, -0.0, 0.0], "genvec2": [-0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.14475344, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.5505033095811283, -1.4725679456934426, -0.0], [-2.5505033095811283, 1.4725679456934426, -0.0], [-0.0, 0.0, -1.6122232082422863]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231754, -2.133411, 0.0], [-1.231754, 2.133411, 0.0], [0.0, 0.0, -3.897218]], "a": 2.4634651228375453, "b": 2.4634651228375453, "c": 3.897218, "alpha": 90.0, "beta": 90.0, "gamma": 119.99884847630415, "volume": 20.48251146854018}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666681, 0.333319, 0.75], "xyz": [-1.231754, -0.711198157782, -2.9229135], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333319, 0.666681, 0.25], "xyz": [-1.231754, 0.711198157782, -0.9743045], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74491072, "e_wo_entrp": -16.74491072, "e_0_energy": 0.0, "forces": [[0.0, 0.0004476, 0.0], [0.0, -0.0004476, 0.0]], "stress": [[-3.49001792, 0.0, 0.0], [0.0, -3.36570598, 0.0], [0.0, 0.0, -4.53433839]], "electronic_steps": [{"alphaZ": 383.61746078, "ewald": -3753.05431994, "hartreedc": -1093.49180431, "XCdc": 143.59405887, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -153.03032612, "atom": 4913.78244629, "e_fr_energy": 264.8037852, "e_wo_entrp": 264.8037852, "e_0_energy": 264.8037852}, {"e_fr_energy": -7.86090456, "e_wo_entrp": -7.86090456, "e_0_energy": -7.86090456}, {"e_fr_energy": -19.63336933, "e_wo_entrp": -19.63336933, "e_0_energy": -19.63336933}, {"e_fr_energy": -19.82592703, "e_wo_entrp": -19.82592703, "e_0_energy": -19.82592703}, {"e_fr_energy": -19.83218965, "e_wo_entrp": -19.83218965, "e_0_energy": -19.83218965}, {"e_fr_energy": -17.07960779, "e_wo_entrp": -17.07960779, "e_0_energy": -17.07960779}, {"e_fr_energy": -16.77102356, "e_wo_entrp": -16.77102356, "e_0_energy": -16.77102356}, {"e_fr_energy": -16.74506537, "e_wo_entrp": -16.74506537, "e_0_energy": -16.74506537}, {"e_fr_energy": -16.74491785, "e_wo_entrp": -16.74491785, "e_0_energy": -16.74491785}, {"alphaZ": 383.61746078, "ewald": -3753.05431994, "hartreedc": -1018.25546689, "XCdc": 140.28709688, "pawpsdc": 3788.78165953, "pawaedc": -3969.3493047, "eentropy": 0.0, "bandstr": -502.55448266, "atom": 4913.78244629, "e_fr_energy": -16.74491072, "e_wo_entrp": -16.74491072, "e_0_energy": -16.74491072}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231754, -2.133411, 0.0], [-1.231754, 2.133411, 0.0], [0.0, 0.0, -3.897218]], "a": 2.4634651228375453, "b": 2.4634651228375453, "c": 3.897218, "alpha": 90.0, "beta": 90.0, "gamma": 119.99884847630415, "volume": 20.48251146854018}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666681, 0.333319, 0.75], "xyz": [-1.231754, -0.711198157782, -2.9229135], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333319, 0.666681, 0.25], "xyz": [-1.231754, 0.711198157782, -0.9743045], "label": "Fe"}]}}], "efermi": 6.2729773, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231754, -2.133411, 0.0], [-1.231754, 2.133411, 0.0], [0.0, 0.0, -3.897218]], "a": 2.4634651228375453, "b": 2.4634651228375453, "c": 3.897218, "alpha": 90.0, "beta": 90.0, "gamma": 119.99884847630415, "volume": 20.48251146854018}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666681, 0.333319, 0.75], "xyz": [-1.231754, -0.711198157782, -2.9229135], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333319, 0.666681, 0.25], "xyz": [-1.231754, 0.711198157782, -0.9743045], "label": "Fe"}]}, "energy": -16.74491072, "energy_per_atom": -8.37245536, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.273, "magnetization": [{"s": -0.0, "p": -0.0, "d": -0.0, "tot": -0.0}, {"s": -0.0, "p": -0.0, "d": -0.0, "tot": -0.0}], "charge": [{"s": 0.424, "p": 6.459, "d": 6.12, "tot": 13.003}, {"s": 0.424, "p": 6.459, "d": 6.12, "tot": 13.003}], "total_magnetization": -1.11e-05, "nelect": 27.9999982, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8333, -44.8333]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-11-21-11-089680/launcher_2018-03-20-13-05-01-518638", "completed_at": "2018-03-20 06:07:33.547291", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 64092.0, "Elapsed time (sec)": 150.601, "System time (sec)": 2.872, "User time (sec)": 147.223, "Total CPU time used (sec)": 150.094, "cores": "16"}, "overall": {"Total CPU time used (sec)": 150.094, "User time (sec)": 147.223, "System time (sec)": 2.872, "Elapsed time (sec)": 150.601}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 06:07:33.547291", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231754, -2.133411, 0.0], [-1.231754, 2.133411, 0.0], [0.0, 0.0, -3.897218]], "a": 2.4634651228375453, "b": 2.4634651228375453, "c": 3.897218, "alpha": 90.0, "beta": 90.0, "gamma": 119.99884847630415, "volume": 20.48251146854018}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666681, 0.333319, 0.75], "xyz": [-1.231754, -0.711198157782, -2.9229135], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333319, 0.666681, 0.25], "xyz": [-1.231754, 0.711198157782, -0.9743045], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.14475344, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.231754, -2.133411, 0.0], [-1.231754, 2.133411, 0.0], [0.0, 0.0, -3.897218]], "a": 2.4634651228375453, "b": 2.4634651228375453, "c": 3.897218, "alpha": 90.0, "beta": 90.0, "gamma": 119.99884847630415, "volume": 20.48251146854018}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666681, 0.333319, 0.75], "xyz": [-1.231754, -0.711198157782, -2.9229135], "label": "Fe", "properties": {"magmom": -0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333319, 0.666681, 0.25], "xyz": [-1.231754, 0.711198157782, -0.9743045], "label": "Fe", "properties": {"magmom": -0.0}}]}, "density": 9.054827366383424, "energy": -16.74491072, "energy_per_atom": -8.37245536, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 06:07:33"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231754, -2.133411, 0.0], [-1.231754, 2.133411, -0.0], [0.0, 0.0, -3.897218]], "a": 2.4634651228375453, "b": 2.4634651228375453, "c": 3.897218, "alpha": 90.0, "beta": 90.0, "gamma": 119.99884847630415, "volume": 20.48251146854018}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666681, 0.333319, 0.75], "xyz": [-1.231754, -0.711198157782, -2.9229135], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333319, 0.666681, 0.25], "xyz": [-1.231754, 0.711198157782, -0.9743045], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0, 0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1057263", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f912e927b78dbe680a9"}, "dir_name": "mc0637.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-12-21-57-345932/launcher_2018-03-20-13-59-01-042818", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191822, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, -0.0, 0.0], "genvec2": [-0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.14441754, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.5507600932015237, -1.4726010780114742, -0.0], [-2.5507600932015237, 1.4726010780114742, -0.0], [-0.0, 0.0, -1.6121127617372706]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23163, -2.133363, 0.0], [-1.23163, 2.133363, 0.0], [0.0, 0.0, -3.897485]], "a": 2.4633615541915486, "b": 2.4633615541915486, "c": 3.897485, "alpha": 90.0, "beta": 90.0, "gamma": 120.00272746201449, "volume": 20.4813918044074}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.23163, -0.7111565560500002, -2.92311375], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.23163, 0.7111565560500002, -0.97437125], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74490715, "e_wo_entrp": -16.74490715, "e_0_energy": 0.0, "forces": [[0.0, 0.00034522, 0.0], [0.0, -0.00034522, -0.0]], "stress": [[-3.02779487, 0.0, 0.0], [0.0, -3.19101822, 0.0], [0.0, -0.0, -4.79211644]], "electronic_steps": [{"alphaZ": 383.63843215, "ewald": -3753.12702445, "hartreedc": -1093.45278479, "XCdc": 143.59450621, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -152.35968776, "atom": 4913.78244629, "e_fr_energy": 265.46215729, "e_wo_entrp": 265.46215729, "e_0_energy": 265.46215729}, {"e_fr_energy": -7.70346816, "e_wo_entrp": -7.70346816, "e_0_energy": -7.70346816}, {"e_fr_energy": -19.62988665, "e_wo_entrp": -19.62988665, "e_0_energy": -19.62988665}, {"e_fr_energy": -19.82574244, "e_wo_entrp": -19.82574244, "e_0_energy": -19.82574244}, {"e_fr_energy": -19.83211524, "e_wo_entrp": -19.83211524, "e_0_energy": -19.83211524}, {"e_fr_energy": -17.07953248, "e_wo_entrp": -17.07953248, "e_0_energy": -17.07953248}, {"e_fr_energy": -16.77103347, "e_wo_entrp": -16.77103347, "e_0_energy": -16.77103347}, {"e_fr_energy": -16.74506247, "e_wo_entrp": -16.74506247, "e_0_energy": -16.74506247}, {"e_fr_energy": -16.74491423, "e_wo_entrp": -16.74491423, "e_0_energy": -16.74491423}, {"alphaZ": 383.63843215, "ewald": -3753.12702445, "hartreedc": -1018.21647091, "XCdc": 140.28751086, "pawpsdc": 3788.81628934, "pawaedc": -3969.38446424, "eentropy": 0.0, "bandstr": -502.54162618, "atom": 4913.78244629, "e_fr_energy": -16.74490715, "e_wo_entrp": -16.74490715, "e_0_energy": -16.74490715}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23163, -2.133363, 0.0], [-1.23163, 2.133363, 0.0], [0.0, 0.0, -3.897485]], "a": 2.4633615541915486, "b": 2.4633615541915486, "c": 3.897485, "alpha": 90.0, "beta": 90.0, "gamma": 120.00272746201449, "volume": 20.4813918044074}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.23163, -0.7111565560500002, -2.92311375], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.23163, 0.7111565560500002, -0.97437125], "label": "Fe"}]}}], "efermi": 6.2735386, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23163, -2.133363, 0.0], [-1.23163, 2.133363, 0.0], [0.0, 0.0, -3.897485]], "a": 2.4633615541915486, "b": 2.4633615541915486, "c": 3.897485, "alpha": 90.0, "beta": 90.0, "gamma": 120.00272746201449, "volume": 20.4813918044074}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.23163, -0.7111565560500002, -2.92311375], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.23163, 0.7111565560500002, -0.97437125], "label": "Fe"}]}, "energy": -16.74490715, "energy_per_atom": -8.372453575, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.2735, "magnetization": [{"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 0.424, "p": 6.459, "d": 6.12, "tot": 13.003}, {"s": 0.424, "p": 6.459, "d": 6.12, "tot": 13.003}], "total_magnetization": 3.2e-06, "nelect": 27.9999982, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8328, -44.8328]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-12-21-57-345932/launcher_2018-03-20-13-59-01-042818", "completed_at": "2018-03-20 07:01:33.182369", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 64400.0, "Elapsed time (sec)": 150.416, "System time (sec)": 2.937, "User time (sec)": 146.765, "Total CPU time used (sec)": 149.701, "cores": "16"}, "overall": {"Total CPU time used (sec)": 149.701, "User time (sec)": 146.765, "System time (sec)": 2.937, "Elapsed time (sec)": 150.416}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 07:01:33.182369", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23163, -2.133363, 0.0], [-1.23163, 2.133363, 0.0], [0.0, 0.0, -3.897485]], "a": 2.4633615541915486, "b": 2.4633615541915486, "c": 3.897485, "alpha": 90.0, "beta": 90.0, "gamma": 120.00272746201449, "volume": 20.4813918044074}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.23163, -0.7111565560500002, -2.92311375], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.23163, 0.7111565560500002, -0.97437125], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.14441754, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.23163, -2.133363, 0.0], [-1.23163, 2.133363, 0.0], [0.0, 0.0, -3.897485]], "a": 2.4633615541915486, "b": 2.4633615541915486, "c": 3.897485, "alpha": 90.0, "beta": 90.0, "gamma": 120.00272746201449, "volume": 20.4813918044074}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.23163, -0.7111565560500002, -2.92311375], "label": "Fe", "properties": {"magmom": 0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.23163, 0.7111565560500002, -0.97437125], "label": "Fe", "properties": {"magmom": 0.0}}]}, "density": 9.05532237011791, "energy": -16.74490715, "energy_per_atom": -8.372453575, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 07:01:33"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23163, -2.133363, 0.0], [-1.23163, 2.133363, -0.0], [0.0, 0.0, -3.897485]], "a": 2.4633615541915486, "b": 2.4633615541915486, "c": 3.897485, "alpha": 90.0, "beta": 90.0, "gamma": 120.00272746201449, "volume": 20.4813918044074}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666675, 0.333325, 0.75], "xyz": [-1.23163, -0.7111565560500002, -2.92311375], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333325, 0.666675, 0.25], "xyz": [-1.23163, 0.7111565560500002, -0.97437125], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-0.0, -0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1058094", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f9c2e927b78dbe681a3"}, "dir_name": "mc0641.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-21-741465/launcher_2018-03-20-14-12-29-705738", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191820, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, -0.0, 0.0], "genvec2": [-0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.1418986, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.550876076946893, -1.473004997983753, -0.0], [-2.550876076946893, 1.4730049979837532, -0.0], [-0.0, 0.0, -1.612258372290498]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231574, -2.132778, 0.0], [-1.231574, 2.132778, 0.0], [0.0, 0.0, -3.897133]], "a": 2.462826935608753, "b": 2.462826935608753, "c": 3.897133, "alpha": 90.0, "beta": 90.0, "gamma": 119.99137498847529, "volume": 20.47299532573223}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666693, 0.333307, 0.75], "xyz": [-1.231574, -0.711038326308, -2.92284975], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333307, 0.666693, 0.25], "xyz": [-1.231574, 0.711038326308, -0.97428325], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.744879, "e_wo_entrp": -16.744879, "e_0_energy": 0.0, "forces": [[0.0, 0.00064199, 0.0], [0.0, -0.00064199, 0.0]], "stress": [[-2.12656521, 0.0, 0.0], [0.0, -1.47993184, 0.0], [0.0, 0.0, -3.74977714]], "electronic_steps": [{"alphaZ": 383.7957717, "ewald": -3753.64233793, "hartreedc": -1093.18508569, "XCdc": 143.59800717, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -152.72799809, "atom": 4913.78244629, "e_fr_energy": 265.00707308, "e_wo_entrp": 265.00707308, "e_0_energy": 265.00707308}, {"e_fr_energy": -7.77181585, "e_wo_entrp": -7.77181585, "e_0_energy": -7.77181585}, {"e_fr_energy": -19.63051402, "e_wo_entrp": -19.63051402, "e_0_energy": -19.63051402}, {"e_fr_energy": -19.82498683, "e_wo_entrp": -19.82498683, "e_0_energy": -19.82498683}, {"e_fr_energy": -19.83132757, "e_wo_entrp": -19.83132757, "e_0_energy": -19.83132757}, {"e_fr_energy": -17.07875826, "e_wo_entrp": -17.07875826, "e_0_energy": -17.07875826}, {"e_fr_energy": -16.77099774, "e_wo_entrp": -16.77099774, "e_0_energy": -16.77099774}, {"e_fr_energy": -16.74503339, "e_wo_entrp": -16.74503339, "e_0_energy": -16.74503339}, {"e_fr_energy": -16.74488623, "e_wo_entrp": -16.74488623, "e_0_energy": -16.74488623}, {"alphaZ": 383.7957717, "ewald": -3753.64233793, "hartreedc": -1017.95513428, "XCdc": 140.29102515, "pawpsdc": 3789.1205839, "pawaedc": -3969.69033149, "eentropy": 0.0, "bandstr": -502.44690234, "atom": 4913.78244629, "e_fr_energy": -16.744879, "e_wo_entrp": -16.744879, "e_0_energy": -16.744879}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231574, -2.132778, 0.0], [-1.231574, 2.132778, 0.0], [0.0, 0.0, -3.897133]], "a": 2.462826935608753, "b": 2.462826935608753, "c": 3.897133, "alpha": 90.0, "beta": 90.0, "gamma": 119.99137498847529, "volume": 20.47299532573223}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666693, 0.333307, 0.75], "xyz": [-1.231574, -0.711038326308, -2.92284975], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333307, 0.666693, 0.25], "xyz": [-1.231574, 0.711038326308, -0.97428325], "label": "Fe"}]}}], "efermi": 6.27784865, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231574, -2.132778, 0.0], [-1.231574, 2.132778, 0.0], [0.0, 0.0, -3.897133]], "a": 2.462826935608753, "b": 2.462826935608753, "c": 3.897133, "alpha": 90.0, "beta": 90.0, "gamma": 119.99137498847529, "volume": 20.47299532573223}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666693, 0.333307, 0.75], "xyz": [-1.231574, -0.711038326308, -2.92284975], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333307, 0.666693, 0.25], "xyz": [-1.231574, 0.711038326308, -0.97428325], "label": "Fe"}]}, "energy": -16.744879, "energy_per_atom": -8.3724395, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.2778, "magnetization": [{"s": -0.0, "p": 0.0, "d": -0.0, "tot": -0.0}, {"s": -0.0, "p": 0.0, "d": -0.0, "tot": -0.0}], "charge": [{"s": 0.424, "p": 6.459, "d": 6.121, "tot": 13.003}, {"s": 0.424, "p": 6.459, "d": 6.121, "tot": 13.003}], "total_magnetization": 5.3e-06, "nelect": 27.9999982, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8289, -44.8289]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-21-741465/launcher_2018-03-20-14-12-29-705738", "completed_at": "2018-03-20 07:15:01.597347", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 64304.0, "Elapsed time (sec)": 150.29, "System time (sec)": 2.985, "User time (sec)": 146.663, "Total CPU time used (sec)": 149.647, "cores": "16"}, "overall": {"Total CPU time used (sec)": 149.647, "User time (sec)": 146.663, "System time (sec)": 2.985, "Elapsed time (sec)": 150.29}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 07:15:01.597347", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231574, -2.132778, 0.0], [-1.231574, 2.132778, 0.0], [0.0, 0.0, -3.897133]], "a": 2.462826935608753, "b": 2.462826935608753, "c": 3.897133, "alpha": 90.0, "beta": 90.0, "gamma": 119.99137498847529, "volume": 20.47299532573223}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666693, 0.333307, 0.75], "xyz": [-1.231574, -0.711038326308, -2.92284975], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333307, 0.666693, 0.25], "xyz": [-1.231574, 0.711038326308, -0.97428325], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.1418986, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.231574, -2.132778, 0.0], [-1.231574, 2.132778, 0.0], [0.0, 0.0, -3.897133]], "a": 2.462826935608753, "b": 2.462826935608753, "c": 3.897133, "alpha": 90.0, "beta": 90.0, "gamma": 119.99137498847529, "volume": 20.47299532573223}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666693, 0.333307, 0.75], "xyz": [-1.231574, -0.711038326308, -2.92284975], "label": "Fe", "properties": {"magmom": -0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333307, 0.666693, 0.25], "xyz": [-1.231574, 0.711038326308, -0.97428325], "label": "Fe", "properties": {"magmom": -0.0}}]}, "density": 9.05903618043085, "energy": -16.744879, "energy_per_atom": -8.3724395, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 07:15:01"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231574, -2.132778, -0.0], [-1.231574, 2.132778, 0.0], [0.0, -0.0, -3.897133]], "a": 2.462826935608753, "b": 2.462826935608753, "c": 3.897133, "alpha": 90.0, "beta": 90.0, "gamma": 119.99137498847529, "volume": 20.47299532573223}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666693, 0.333307, 0.75], "xyz": [-1.231574, -0.711038326308, -2.92284975], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333307, 0.666693, 0.25], "xyz": [-1.231574, 0.711038326308, -0.97428325], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0, 0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1058304", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79f9c2e927b78dbe68250"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-11-267018/launcher_2018-03-20-14-23-37-923819", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191816, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.17061111, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.54756640473266, -1.4708677763699844, -0.0], [-2.54756640473266, 1.4708677763699844, -0.0], [-0.0, 0.0, -1.6091759784693807]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.233174, -2.135877, 0.0], [-1.233174, 2.135877, 0.0], [0.0, 0.0, -3.904598]], "a": 2.4663107414527063, "b": 2.4663107414527063, "c": 3.904598, "alpha": 90.0, "beta": 90.0, "gamma": 119.9990005266522, "volume": 20.568703689881566}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666673, 0.333327, 0.75], "xyz": [-1.233174, -0.7119860544419999, -2.9284485], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333327, 0.666673, 0.25], "xyz": [-1.233174, 0.7119860544419999, -0.9761495], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74480518, "e_wo_entrp": -16.74480518, "e_0_energy": 0.0, "forces": [[0.0, 6.381e-05, 0.0], [0.0, -6.381e-05, 0.0]], "stress": [[-14.72971232, 0.0, 0.0], [0.0, -14.60285466, 0.0], [0.0, -0.0, -19.42753835]], "electronic_steps": [{"alphaZ": 382.00992919, "ewald": -3747.82889824, "hartreedc": -1096.19393602, "XCdc": 143.55806504, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -153.23074523, "atom": 4913.78244629, "e_fr_energy": 265.48313066, "e_wo_entrp": 265.48313066, "e_0_energy": 265.48313066}, {"e_fr_energy": -7.6714955, "e_wo_entrp": -7.6714955, "e_0_energy": -7.6714955}, {"e_fr_energy": -19.63681548, "e_wo_entrp": -19.63681548, "e_0_energy": -19.63681548}, {"e_fr_energy": -19.83386166, "e_wo_entrp": -19.83386166, "e_0_energy": -19.83386166}, {"e_fr_energy": -19.84015929, "e_wo_entrp": -19.84015929, "e_0_energy": -19.84015929}, {"e_fr_energy": -17.08641685, "e_wo_entrp": -17.08641685, "e_0_energy": -17.08641685}, {"e_fr_energy": -16.77093089, "e_wo_entrp": -16.77093089, "e_0_energy": -16.77093089}, {"e_fr_energy": -16.7449622, "e_wo_entrp": -16.7449622, "e_0_energy": -16.7449622}, {"e_fr_energy": -16.74481198, "e_wo_entrp": -16.74481198, "e_0_energy": -16.74481198}, {"alphaZ": 382.00992919, "ewald": -3747.82889824, "hartreedc": -1020.89648657, "XCdc": 140.25111976, "pawpsdc": 3785.66092446, "pawaedc": -3966.20699421, "eentropy": 0.0, "bandstr": -503.51684587, "atom": 4913.78244629, "e_fr_energy": -16.74480518, "e_wo_entrp": -16.74480518, "e_0_energy": -16.74480518}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.233174, -2.135877, 0.0], [-1.233174, 2.135877, 0.0], [0.0, 0.0, -3.904598]], "a": 2.4663107414527063, "b": 2.4663107414527063, "c": 3.904598, "alpha": 90.0, "beta": 90.0, "gamma": 119.9990005266522, "volume": 20.568703689881566}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666673, 0.333327, 0.75], "xyz": [-1.233174, -0.7119860544419999, -2.9284485], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333327, 0.666673, 0.25], "xyz": [-1.233174, 0.7119860544419999, -0.9761495], "label": "Fe"}]}}], "efermi": 6.22888708, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.233174, -2.135877, 0.0], [-1.233174, 2.135877, 0.0], [0.0, 0.0, -3.904598]], "a": 2.4663107414527063, "b": 2.4663107414527063, "c": 3.904598, "alpha": 90.0, "beta": 90.0, "gamma": 119.9990005266522, "volume": 20.568703689881566}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666673, 0.333327, 0.75], "xyz": [-1.233174, -0.7119860544419999, -2.9284485], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333327, 0.666673, 0.25], "xyz": [-1.233174, 0.7119860544419999, -0.9761495], "label": "Fe"}]}, "energy": -16.74480518, "energy_per_atom": -8.37240259, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.2289, "magnetization": [{"s": -0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 0.422, "p": 6.455, "d": 6.117, "tot": 12.994}, {"s": 0.422, "p": 6.455, "d": 6.117, "tot": 12.994}], "total_magnetization": -0.0, "nelect": 27.9999982, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8731, -44.8731]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-11-267018/launcher_2018-03-20-14-23-37-923819", "completed_at": "2018-03-20 07:26:09.291843", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 63360.0, "Elapsed time (sec)": 149.901, "System time (sec)": 2.814, "User time (sec)": 146.558, "Total CPU time used (sec)": 149.371, "cores": "16"}, "overall": {"Total CPU time used (sec)": 149.371, "User time (sec)": 146.558, "System time (sec)": 2.814, "Elapsed time (sec)": 149.901}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 07:26:09.291843", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.233174, -2.135877, 0.0], [-1.233174, 2.135877, 0.0], [0.0, 0.0, -3.904598]], "a": 2.4663107414527063, "b": 2.4663107414527063, "c": 3.904598, "alpha": 90.0, "beta": 90.0, "gamma": 119.9990005266522, "volume": 20.568703689881566}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666673, 0.333327, 0.75], "xyz": [-1.233174, -0.7119860544419999, -2.9284485], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333327, 0.666673, 0.25], "xyz": [-1.233174, 0.7119860544419999, -0.9761495], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.17061111, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.233174, -2.135877, 0.0], [-1.233174, 2.135877, 0.0], [0.0, 0.0, -3.904598]], "a": 2.4663107414527063, "b": 2.4663107414527063, "c": 3.904598, "alpha": 90.0, "beta": 90.0, "gamma": 119.9990005266522, "volume": 20.568703689881566}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666673, 0.333327, 0.75], "xyz": [-1.233174, -0.7119860544419999, -2.9284485], "label": "Fe", "properties": {"magmom": 0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333327, 0.666673, 0.25], "xyz": [-1.233174, 0.7119860544419999, -0.9761495], "label": "Fe", "properties": {"magmom": 0.0}}]}, "density": 9.016883522360075, "energy": -16.74480518, "energy_per_atom": -8.37240259, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 07:26:09"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.233174, -2.135877, -0.0], [-1.233174, 2.135877, 0.0], [0.0, -0.0, -3.904598]], "a": 2.4663107414527063, "b": 2.4663107414527063, "c": 3.904598, "alpha": 90.0, "beta": 90.0, "gamma": 119.9990005266522, "volume": 20.568703689881566}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666673, 0.333327, 0.75], "xyz": [-1.233174, -0.7119860544419999, -2.9284485], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333327, 0.666673, 0.25], "xyz": [-1.233174, 0.7119860544419999, -0.9761495], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0, 0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1058469", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79faf2e927b78dbe685ab"}, "dir_name": "mc0660.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-42-694006/launcher_2018-03-20-15-12-20-612256", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191824, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, -0.0, 0.0], "genvec2": [-0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.18732896, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.5430275451500908, -1.4681752792978169, -0.0], [-2.5430275451500908, 1.4681752792978169, -0.0], [-0.0, 0.0, -1.6106407605905761]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.235375, -2.139794, 0.0], [-1.235375, 2.139794, 0.0], [0.0, 0.0, -3.901047]], "a": 2.470803463058323, "b": 2.470803463058323, "c": 3.901047, "alpha": 90.0, "beta": 90.0, "gamma": 120.00143154838665, "volume": 20.6244298795887}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666684, 0.333316, 0.75], "xyz": [-1.235375, -0.7133388461920002, -2.92578525], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333316, 0.666684, 0.25], "xyz": [-1.235375, 0.7133388461920002, -0.97526175], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74436064, "e_wo_entrp": -16.74436064, "e_0_energy": 0.0, "forces": [[0.0, 0.00072022, -0.0], [0.0, -0.00072022, 0.0]], "stress": [[-25.7301094, 0.0, 0.0], [0.0, -25.83119852, 0.0], [0.0, 0.0, -19.39169554]], "electronic_steps": [{"alphaZ": 380.97775725, "ewald": -3744.35865729, "hartreedc": -1098.02450532, "XCdc": 143.53547278, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -153.39080703, "atom": 4913.78244629, "e_fr_energy": 265.90797633, "e_wo_entrp": 265.90797633, "e_0_energy": 265.90797633}, {"e_fr_energy": -7.74785692, "e_wo_entrp": -7.74785692, "e_0_energy": -7.74785692}, {"e_fr_energy": -19.64108349, "e_wo_entrp": -19.64108349, "e_0_energy": -19.64108349}, {"e_fr_energy": -19.83760642, "e_wo_entrp": -19.83760642, "e_0_energy": -19.83760642}, {"e_fr_energy": -19.84398827, "e_wo_entrp": -19.84398827, "e_0_energy": -19.84398827}, {"e_fr_energy": -17.0905742, "e_wo_entrp": -17.0905742, "e_0_energy": -17.0905742}, {"e_fr_energy": -16.77047628, "e_wo_entrp": -16.77047628, "e_0_energy": -16.77047628}, {"e_fr_energy": -16.74451763, "e_wo_entrp": -16.74451763, "e_0_energy": -16.74451763}, {"e_fr_energy": -16.74436762, "e_wo_entrp": -16.74436762, "e_0_energy": -16.74436762}, {"alphaZ": 380.97775725, "ewald": -3744.35865729, "hartreedc": -1022.71086936, "XCdc": 140.22954067, "pawpsdc": 3783.84235945, "pawaedc": -3964.36833915, "eentropy": 0.0, "bandstr": -504.13859848, "atom": 4913.78244629, "e_fr_energy": -16.74436064, "e_wo_entrp": -16.74436064, "e_0_energy": -16.74436064}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.235375, -2.139794, 0.0], [-1.235375, 2.139794, 0.0], [0.0, 0.0, -3.901047]], "a": 2.470803463058323, "b": 2.470803463058323, "c": 3.901047, "alpha": 90.0, "beta": 90.0, "gamma": 120.00143154838665, "volume": 20.6244298795887}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666684, 0.333316, 0.75], "xyz": [-1.235375, -0.7133388461920002, -2.92578525], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333316, 0.666684, 0.25], "xyz": [-1.235375, 0.7133388461920002, -0.97526175], "label": "Fe"}]}}], "efermi": 6.20102894, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.235375, -2.139794, 0.0], [-1.235375, 2.139794, 0.0], [0.0, 0.0, -3.901047]], "a": 2.470803463058323, "b": 2.470803463058323, "c": 3.901047, "alpha": 90.0, "beta": 90.0, "gamma": 120.00143154838665, "volume": 20.6244298795887}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666684, 0.333316, 0.75], "xyz": [-1.235375, -0.7133388461920002, -2.92578525], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333316, 0.666684, 0.25], "xyz": [-1.235375, 0.7133388461920002, -0.97526175], "label": "Fe"}]}, "energy": -16.74436064, "energy_per_atom": -8.37218032, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.201, "magnetization": [{"s": -0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 0.421, "p": 6.453, "d": 6.115, "tot": 12.989}, {"s": 0.421, "p": 6.453, "d": 6.115, "tot": 12.989}], "total_magnetization": -1.3e-06, "nelect": 27.9999974, "is_stopped": false, "drift": [[0.0, -0.0, 0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8985, -44.8985]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-42-694006/launcher_2018-03-20-15-12-20-612256", "completed_at": "2018-03-20 08:14:52.090776", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 63528.0, "Elapsed time (sec)": 150.086, "System time (sec)": 2.826, "User time (sec)": 146.854, "Total CPU time used (sec)": 149.679, "cores": "16"}, "overall": {"Total CPU time used (sec)": 149.679, "User time (sec)": 146.854, "System time (sec)": 2.826, "Elapsed time (sec)": 150.086}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 08:14:52.090776", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.235375, -2.139794, 0.0], [-1.235375, 2.139794, 0.0], [0.0, 0.0, -3.901047]], "a": 2.470803463058323, "b": 2.470803463058323, "c": 3.901047, "alpha": 90.0, "beta": 90.0, "gamma": 120.00143154838665, "volume": 20.6244298795887}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666684, 0.333316, 0.75], "xyz": [-1.235375, -0.7133388461920002, -2.92578525], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333316, 0.666684, 0.25], "xyz": [-1.235375, 0.7133388461920002, -0.97526175], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.18732896, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.235375, -2.139794, 0.0], [-1.235375, 2.139794, 0.0], [0.0, 0.0, -3.901047]], "a": 2.470803463058323, "b": 2.470803463058323, "c": 3.901047, "alpha": 90.0, "beta": 90.0, "gamma": 120.00143154838665, "volume": 20.6244298795887}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666684, 0.333316, 0.75], "xyz": [-1.2353750000000001, -0.7133388461920002, -2.92578525], "label": "Fe", "properties": {"magmom": 0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333316, 0.666684, 0.25], "xyz": [-1.235375, 0.7133388461920002, -0.97526175], "label": "Fe", "properties": {"magmom": 0.0}}]}, "density": 8.992520348945451, "energy": -16.74436064, "energy_per_atom": -8.37218032, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 08:14:52"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.235375, -2.139794, 0.0], [-1.235375, 2.139794, -0.0], [0.0, 0.0, -3.901047]], "a": 2.470803463058323, "b": 2.470803463058323, "c": 3.901047, "alpha": 90.0, "beta": 90.0, "gamma": 120.00143154838665, "volume": 20.6244298795887}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666684, 0.333316, 0.75], "xyz": [-1.235375, -0.7133388461920002, -2.92578525], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333316, 0.666684, 0.25], "xyz": [-1.235375, 0.7133388461920002, -0.97526175], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0, 0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1059349", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79faf2e927b78dbe685b0"}, "dir_name": "mc0627.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-37-456533/launcher_2018-03-20-15-17-37-434529", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191821, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.15286715, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.5503293887587435, -1.472551380093508, -0.0], [-2.5503293887587435, 1.472551380093508, -0.0], [-0.0, 0.0, -1.6102251037990725]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231838, -2.133435, 0.0], [-1.231838, 2.133435, 0.0], [0.0, 0.0, -3.902054]], "a": 2.4635279088065962, "b": 2.4635279088065962, "c": 3.902054, "alpha": 90.0, "beta": 90.0, "gamma": 119.99602288546427, "volume": 20.509557181748903}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666676, 0.333324, 0.75], "xyz": [-1.231838, -0.7111848241200001, -2.9265405], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333324, 0.666676, 0.25], "xyz": [-1.231838, 0.7111848241200001, -0.9755135], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74492222, "e_wo_entrp": -16.74492222, "e_0_energy": 0.0, "forces": [[0.0, 5.615e-05, 0.0], [0.0, -5.615e-05, 0.0]], "stress": [[-5.75015617, 0.0, 0.0], [0.0, -5.4035904, 0.0], [0.0, 0.0, -12.26048661]], "electronic_steps": [{"alphaZ": 383.11158892, "ewald": -3751.44310725, "hartreedc": -1094.31459871, "XCdc": 143.5825795, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -152.98599819, "atom": 4913.78244629, "e_fr_energy": 265.11918022, "e_wo_entrp": 265.11918022, "e_0_energy": 265.11918022}, {"e_fr_energy": -7.73968566, "e_wo_entrp": -7.73968566, "e_0_energy": -7.73968566}, {"e_fr_energy": -19.63316855, "e_wo_entrp": -19.63316855, "e_0_energy": -19.63316855}, {"e_fr_energy": -19.82872424, "e_wo_entrp": -19.82872424, "e_0_energy": -19.82872424}, {"e_fr_energy": -19.83500475, "e_wo_entrp": -19.83500475, "e_0_energy": -19.83500475}, {"e_fr_energy": -17.08177773, "e_wo_entrp": -17.08177773, "e_0_energy": -17.08177773}, {"e_fr_energy": -16.77103819, "e_wo_entrp": -16.77103819, "e_0_energy": -16.77103819}, {"e_fr_energy": -16.74507763, "e_wo_entrp": -16.74507763, "e_0_energy": -16.74507763}, {"e_fr_energy": -16.74492946, "e_wo_entrp": -16.74492946, "e_0_energy": -16.74492946}, {"alphaZ": 383.11158892, "ewald": -3751.44310725, "hartreedc": -1019.05683006, "XCdc": 140.27551976, "pawpsdc": 3787.76768485, "pawaedc": -3968.32771739, "eentropy": 0.0, "bandstr": -502.85450735, "atom": 4913.78244629, "e_fr_energy": -16.74492222, "e_wo_entrp": -16.74492222, "e_0_energy": -16.74492222}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231838, -2.133435, 0.0], [-1.231838, 2.133435, 0.0], [0.0, 0.0, -3.902054]], "a": 2.4635279088065962, "b": 2.4635279088065962, "c": 3.902054, "alpha": 90.0, "beta": 90.0, "gamma": 119.99602288546427, "volume": 20.509557181748903}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666676, 0.333324, 0.75], "xyz": [-1.231838, -0.7111848241200001, -2.9265405], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333324, 0.666676, 0.25], "xyz": [-1.231838, 0.7111848241200001, -0.9755135], "label": "Fe"}]}}], "efermi": 6.25903317, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231838, -2.133435, 0.0], [-1.231838, 2.133435, 0.0], [0.0, 0.0, -3.902054]], "a": 2.4635279088065962, "b": 2.4635279088065962, "c": 3.902054, "alpha": 90.0, "beta": 90.0, "gamma": 119.99602288546427, "volume": 20.509557181748903}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666676, 0.333324, 0.75], "xyz": [-1.231838, -0.7111848241200001, -2.9265405], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333324, 0.666676, 0.25], "xyz": [-1.231838, 0.7111848241200001, -0.9755135], "label": "Fe"}]}, "energy": -16.74492222, "energy_per_atom": -8.37246111, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.259, "magnetization": [{"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 0.423, "p": 6.458, "d": 6.119, "tot": 13.0}, {"s": 0.423, "p": 6.458, "d": 6.119, "tot": 13.0}], "total_magnetization": -5.4e-06, "nelect": 27.9999984, "is_stopped": false, "drift": [[-0.0, -0.0, 0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8458, -44.8458]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-13-21-37-456533/launcher_2018-03-20-15-17-37-434529", "completed_at": "2018-03-20 08:20:09.194835", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 63980.0, "Elapsed time (sec)": 150.31, "System time (sec)": 2.915, "User time (sec)": 146.801, "Total CPU time used (sec)": 149.715, "cores": "16"}, "overall": {"Total CPU time used (sec)": 149.715, "User time (sec)": 146.801, "System time (sec)": 2.915, "Elapsed time (sec)": 150.31}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 08:20:09.194835", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231838, -2.133435, 0.0], [-1.231838, 2.133435, 0.0], [0.0, 0.0, -3.902054]], "a": 2.4635279088065962, "b": 2.4635279088065962, "c": 3.902054, "alpha": 90.0, "beta": 90.0, "gamma": 119.99602288546427, "volume": 20.509557181748903}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666676, 0.333324, 0.75], "xyz": [-1.231838, -0.7111848241200001, -2.9265405], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333324, 0.666676, 0.25], "xyz": [-1.231838, 0.7111848241200001, -0.9755135], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.15286715, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.231838, -2.133435, 0.0], [-1.231838, 2.133435, 0.0], [0.0, 0.0, -3.902054]], "a": 2.4635279088065962, "b": 2.4635279088065962, "c": 3.902054, "alpha": 90.0, "beta": 90.0, "gamma": 119.99602288546427, "volume": 20.509557181748903}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666676, 0.333324, 0.75], "xyz": [-1.231838, -0.7111848241200001, -2.9265405], "label": "Fe", "properties": {"magmom": 0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333324, 0.666676, 0.25], "xyz": [-1.231838, 0.7111848241200002, -0.9755135], "label": "Fe", "properties": {"magmom": 0.0}}]}, "density": 9.042886871426095, "energy": -16.74492222, "energy_per_atom": -8.37246111, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 08:20:09"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.231838, -2.133435, -0.0], [-1.231838, 2.133435, 0.0], [0.0, -0.0, -3.902054]], "a": 2.4635279088065962, "b": 2.4635279088065962, "c": 3.902054, "alpha": 90.0, "beta": 90.0, "gamma": 119.99602288546427, "volume": 20.509557181748903}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666676, 0.333324, 0.75], "xyz": [-1.231838, -0.7111848241200001, -2.9265405], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333324, 0.666676, 0.25], "xyz": [-1.231838, 0.7111848241200001, -0.9755135], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-0.0, -0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1059421", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79fba2e927b78dbe68c3d"}, "dir_name": "mc0819.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-14-22-08-320093/launcher_2018-03-20-16-30-22-139992", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191817, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.13534675, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.5530008586328488, -1.474092885331387, -0.0], [-2.5530008586328488, 1.474092885331387, -0.0], [-0.0, 0.0, -1.6114466807638455]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.230549, -2.131204, 0.0], [-1.230549, 2.131204, 0.0], [0.0, 0.0, -3.899096]], "a": 2.4609513061044095, "b": 2.4609513061044095, "c": 3.899096, "alpha": 90.0, "beta": 90.0, "gamma": 119.99605628668512, "volume": 20.451155845649396}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666678, 0.333322, 0.75], "xyz": [-1.230549, -0.7104496406239998, -2.924322], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333322, 0.666678, 0.25], "xyz": [-1.230549, 0.7104496406239998, -0.974774], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74473446, "e_wo_entrp": -16.74473446, "e_0_energy": 0.0, "forces": [[0.0, 0.00016793, 0.0], [0.0, -0.00016793, -0.0]], "stress": [[2.97745892, 0.0, 0.0], [0.0, 3.3168937, -0.0], [0.0, 0.0, -4.46759581]], "electronic_steps": [{"alphaZ": 384.2056214, "ewald": -3755.01987433, "hartreedc": -1092.45851465, "XCdc": 143.60695465, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -152.65766468, "atom": 4913.78244629, "e_fr_energy": 264.84523832, "e_wo_entrp": 264.84523832, "e_0_energy": 264.84523832}, {"e_fr_energy": -7.83771191, "e_wo_entrp": -7.83771191, "e_0_energy": -7.83771191}, {"e_fr_energy": -19.62920012, "e_wo_entrp": -19.62920012, "e_0_energy": -19.62920012}, {"e_fr_energy": -19.82310312, "e_wo_entrp": -19.82310312, "e_0_energy": -19.82310312}, {"e_fr_energy": -19.82947093, "e_wo_entrp": -19.82947093, "e_0_energy": -19.82947093}, {"e_fr_energy": -17.0768428, "e_wo_entrp": -17.0768428, "e_0_energy": -17.0768428}, {"e_fr_energy": -16.77085919, "e_wo_entrp": -16.77085919, "e_0_energy": -16.77085919}, {"e_fr_energy": -16.74488864, "e_wo_entrp": -16.74488864, "e_0_energy": -16.74488864}, {"e_fr_energy": -16.74474186, "e_wo_entrp": -16.74474186, "e_0_energy": -16.74474186}, {"alphaZ": 384.2056214, "ewald": -3755.01987433, "hartreedc": -1017.23933869, "XCdc": 140.29975576, "pawpsdc": 3789.86414942, "pawaedc": -3970.43930022, "eentropy": 0.0, "bandstr": -502.19819409, "atom": 4913.78244629, "e_fr_energy": -16.74473446, "e_wo_entrp": -16.74473446, "e_0_energy": -16.74473446}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.230549, -2.131204, 0.0], [-1.230549, 2.131204, 0.0], [0.0, 0.0, -3.899096]], "a": 2.4609513061044095, "b": 2.4609513061044095, "c": 3.899096, "alpha": 90.0, "beta": 90.0, "gamma": 119.99605628668512, "volume": 20.451155845649396}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666678, 0.333322, 0.75], "xyz": [-1.230549, -0.7104496406239998, -2.924322], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333322, 0.666678, 0.25], "xyz": [-1.230549, 0.7104496406239998, -0.974774], "label": "Fe"}]}}], "efermi": 6.28895099, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.230549, -2.131204, 0.0], [-1.230549, 2.131204, 0.0], [0.0, 0.0, -3.899096]], "a": 2.4609513061044095, "b": 2.4609513061044095, "c": 3.899096, "alpha": 90.0, "beta": 90.0, "gamma": 119.99605628668512, "volume": 20.451155845649396}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666678, 0.333322, 0.75], "xyz": [-1.230549, -0.7104496406239998, -2.924322], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333322, 0.666678, 0.25], "xyz": [-1.230549, 0.7104496406239998, -0.974774], "label": "Fe"}]}, "energy": -16.74473446, "energy_per_atom": -8.37236723, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.289, "magnetization": [{"s": 0.0, "p": -0.0, "d": -0.0, "tot": 0.0}, {"s": 0.0, "p": -0.0, "d": -0.0, "tot": 0.0}], "charge": [{"s": 0.424, "p": 6.46, "d": 6.121, "tot": 13.005}, {"s": 0.424, "p": 6.46, "d": 6.121, "tot": 13.005}], "total_magnetization": -1.8e-06, "nelect": 27.9999985, "is_stopped": false, "drift": [[0.0, -0.0, -0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8187, -44.8187]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-14-22-08-320093/launcher_2018-03-20-16-30-22-139992", "completed_at": "2018-03-20 09:32:53.365567", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 63268.0, "Elapsed time (sec)": 149.794, "System time (sec)": 2.839, "User time (sec)": 146.549, "Total CPU time used (sec)": 149.387, "cores": "16"}, "overall": {"Total CPU time used (sec)": 149.387, "User time (sec)": 146.549, "System time (sec)": 2.839, "Elapsed time (sec)": 149.794}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 09:32:53.365567", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.230549, -2.131204, 0.0], [-1.230549, 2.131204, 0.0], [0.0, 0.0, -3.899096]], "a": 2.4609513061044095, "b": 2.4609513061044095, "c": 3.899096, "alpha": 90.0, "beta": 90.0, "gamma": 119.99605628668512, "volume": 20.451155845649396}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666678, 0.333322, 0.75], "xyz": [-1.230549, -0.7104496406239998, -2.924322], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333322, 0.666678, 0.25], "xyz": [-1.230549, 0.7104496406239998, -0.974774], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.13534675, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.230549, -2.131204, 0.0], [-1.230549, 2.131204, 0.0], [0.0, 0.0, -3.899096]], "a": 2.4609513061044095, "b": 2.4609513061044095, "c": 3.899096, "alpha": 90.0, "beta": 90.0, "gamma": 119.99605628668512, "volume": 20.451155845649396}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666678, 0.333322, 0.75], "xyz": [-1.230549, -0.7104496406239998, -2.924322], "label": "Fe", "properties": {"magmom": 0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333322, 0.666678, 0.25], "xyz": [-1.230549, 0.710449640624, -0.974774], "label": "Fe", "properties": {"magmom": 0.0}}]}, "density": 9.068710188185003, "energy": -16.74473446, "energy_per_atom": -8.37236723, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 09:32:53"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.230549, -2.131204, -0.0], [-1.230549, 2.131204, 0.0], [0.0, 0.0, -3.899096]], "a": 2.4609513061044095, "b": 2.4609513061044095, "c": 3.899096, "alpha": 90.0, "beta": 90.0, "gamma": 119.99605628668512, "volume": 20.451155845649396}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666678, 0.333322, 0.75], "xyz": [-1.230549, -0.7104496406239998, -2.924322], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333322, 0.666678, 0.25], "xyz": [-1.230549, 0.7104496406239998, -0.974774], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-0.0, -0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1061137", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79fc52e927b78dbe68d6e"}, "dir_name": "mc0645.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-14-22-03-083416/launcher_2018-03-20-16-40-22-406364", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 191823, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, -0.0, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00069771}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00069771}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00034886}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00069771}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00034886}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00069771}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00034886}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00069771}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00034886}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00069771}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00034886}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00069771}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00034886}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00069771}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00069771}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00034886}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00069771}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00034886}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.07692308], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.07692308], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.07692308], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.07692308], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.07692308], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.07692308], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.07692308], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.07692308], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.07692308], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.07692308], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.07692308], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.07692308], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.07692308], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.07692308], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.07692308], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.07692308], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.07692308], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.15384615], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.15384615], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.15384615], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.15384615], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.15384615], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.15384615], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.15384615], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.15384615], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.15384615], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.15384615], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.15384615], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.15384615], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.15384615], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.15384615], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.15384615], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.15384615], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.15384615], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.23076923], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.23076923], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.23076923], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.23076923], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.23076923], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.23076923], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.23076923], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.23076923], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.23076923], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.23076923], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.23076923], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.23076923], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.23076923], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.23076923], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.23076923], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.23076923], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.23076923], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.30769231], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.30769231], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.30769231], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.30769231], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.30769231], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.30769231], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.30769231], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.30769231], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.30769231], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.30769231], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.30769231], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.30769231], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.30769231], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.30769231], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.30769231], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.30769231], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.30769231], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.38461538], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.38461538], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.38461538], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.38461538], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.38461538], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.38461538], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.38461538], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.38461538], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.38461538], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.38461538], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.38461538], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.38461538], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.38461538], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.38461538], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.38461538], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.38461538], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.38461538], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.0952381, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, -0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00139543}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.04761905, 0.46153846], "weight": 0.00139543}, {"abc": [-0.04761905, 0.04761905, 0.46153846], "weight": 0.00069771}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.0952381, 0.46153846], "weight": 0.00139543}, {"abc": [-0.0952381, 0.0952381, 0.46153846], "weight": 0.00069771}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.14285714, 0.46153846], "weight": 0.00139543}, {"abc": [-0.14285714, 0.14285714, 0.46153846], "weight": 0.00069771}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.19047619, 0.46153846], "weight": 0.00139543}, {"abc": [-0.19047619, 0.19047619, 0.46153846], "weight": 0.00069771}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.23809524, 0.46153846], "weight": 0.00139543}, {"abc": [-0.23809524, 0.23809524, 0.46153846], "weight": 0.00069771}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.28571429, 0.46153846], "weight": 0.00139543}, {"abc": [-0.28571429, 0.28571429, 0.46153846], "weight": 0.00069771}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.33333333, 0.46153846], "weight": 0.00139543}, {"abc": [-0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}, {"abc": [0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.38095238, 0.46153846], "weight": 0.00139543}, {"abc": [-0.38095238, 0.38095238, 0.46153846], "weight": 0.00069771}, {"abc": [0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.47619048, 0.42857143, 0.46153846], "weight": 0.00139543}, {"abc": [-0.42857143, 0.42857143, 0.46153846], "weight": 0.00069771}, {"abc": [0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}, {"abc": [-0.47619048, 0.47619048, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.16063395, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.5480705746391057, -1.4712962403037544, -0.0], [-2.5480705746391057, 1.4712962403037546, -0.0], [-0.0, 0.0, -1.610993845220847]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23293, -2.135255, 0.0], [-1.23293, 2.135255, 0.0], [0.0, 0.0, -3.900192]], "a": 2.465650076536612, "b": 2.465650076536612, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99436715624762, "volume": 20.535446513829708}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666687, 0.333313, 0.75], "xyz": [-1.23293, -0.7118385003700001, -2.925144], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333313, 0.666687, 0.25], "xyz": [-1.23293, 0.7118385003700001, -0.975048], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.7449329, "e_wo_entrp": -16.7449329, "e_0_energy": 0.0, "forces": [[0.0, 0.0005069, 0.0], [0.0, -0.0005069, -0.0]], "stress": [[-11.55274129, 0.0, 0.0], [0.0, -11.0900297, -0.0], [0.0, -0.0, -12.01610012]], "electronic_steps": [{"alphaZ": 382.62859465, "ewald": -3749.8218746, "hartreedc": -1095.16903463, "XCdc": 143.57201149, "pawpsdc": 3672.51093703, "pawaedc": -3849.12466738, "eentropy": 0.0, "bandstr": -153.2265214, "atom": 4913.78244629, "e_fr_energy": 265.15189143, "e_wo_entrp": 265.15189143, "e_0_energy": 265.15189143}, {"e_fr_energy": -7.81341553, "e_wo_entrp": -7.81341553, "e_0_energy": -7.81341553}, {"e_fr_energy": -19.63655586, "e_wo_entrp": -19.63655586, "e_0_energy": -19.63655586}, {"e_fr_energy": -19.83078626, "e_wo_entrp": -19.83078626, "e_0_energy": -19.83078626}, {"e_fr_energy": -19.83704206, "e_wo_entrp": -19.83704206, "e_0_energy": -19.83704206}, {"e_fr_energy": -17.08382297, "e_wo_entrp": -17.08382297, "e_0_energy": -17.08382297}, {"e_fr_energy": -16.77104243, "e_wo_entrp": -16.77104243, "e_0_energy": -16.77104243}, {"e_fr_energy": -16.74508838, "e_wo_entrp": -16.74508838, "e_0_energy": -16.74508838}, {"e_fr_energy": -16.74493983, "e_wo_entrp": -16.74493983, "e_0_energy": -16.74493983}, {"alphaZ": 382.62859465, "ewald": -3749.8218746, "hartreedc": -1019.89719976, "XCdc": 140.26515161, "pawpsdc": 3786.88259129, "pawaedc": -3967.43704504, "eentropy": 0.0, "bandstr": -503.14759733, "atom": 4913.78244629, "e_fr_energy": -16.7449329, "e_wo_entrp": -16.7449329, "e_0_energy": -16.7449329}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23293, -2.135255, 0.0], [-1.23293, 2.135255, 0.0], [0.0, 0.0, -3.900192]], "a": 2.465650076536612, "b": 2.465650076536612, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99436715624762, "volume": 20.535446513829708}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666687, 0.333313, 0.75], "xyz": [-1.23293, -0.7118385003700001, -2.925144], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333313, 0.666687, 0.25], "xyz": [-1.23293, 0.7118385003700001, -0.975048], "label": "Fe"}]}}], "efermi": 6.24592082, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23293, -2.135255, 0.0], [-1.23293, 2.135255, 0.0], [0.0, 0.0, -3.900192]], "a": 2.465650076536612, "b": 2.465650076536612, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99436715624762, "volume": 20.535446513829708}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666687, 0.333313, 0.75], "xyz": [-1.23293, -0.7118385003700001, -2.925144], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333313, 0.666687, 0.25], "xyz": [-1.23293, 0.7118385003700001, -0.975048], "label": "Fe"}]}, "energy": -16.7449329, "energy_per_atom": -8.37246645, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.2459, "magnetization": [{"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 0.423, "p": 6.457, "d": 6.118, "tot": 12.997}, {"s": 0.423, "p": 6.457, "d": 6.118, "tot": 12.997}], "total_magnetization": -2e-07, "nelect": 27.999998, "is_stopped": false, "drift": [[-0.0, 0.0, -0.0]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8578, -44.8578]}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-14-22-03-083416/launcher_2018-03-20-16-40-22-406364", "completed_at": "2018-03-20 09:42:53.405861", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 63460.0, "Elapsed time (sec)": 149.602, "System time (sec)": 2.766, "User time (sec)": 146.363, "Total CPU time used (sec)": 149.128, "cores": "16"}, "overall": {"Total CPU time used (sec)": 149.128, "User time (sec)": 146.363, "System time (sec)": 2.766, "Elapsed time (sec)": 149.602}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2018-03-20 09:42:53.405861", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23293, -2.135255, 0.0], [-1.23293, 2.135255, 0.0], [0.0, 0.0, -3.900192]], "a": 2.465650076536612, "b": 2.465650076536612, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99436715624762, "volume": 20.535446513829708}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666687, 0.333313, 0.75], "xyz": [-1.23293, -0.7118385003700001, -2.925144], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333313, 0.666687, 0.25], "xyz": [-1.23293, 0.7118385003700001, -0.975048], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.25e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.25, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.16063395, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "POTIM": 0.25, "MAGMOM": [0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.23293, -2.135255, 0.0], [-1.23293, 2.135255, 0.0], [0.0, 0.0, -3.900192]], "a": 2.465650076536612, "b": 2.465650076536612, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99436715624762, "volume": 20.535446513829708}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666687, 0.333313, 0.75], "xyz": [-1.23293, -0.7118385003700001, -2.925144], "label": "Fe", "properties": {"magmom": 0.0}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333313, 0.666687, 0.25], "xyz": [-1.23293, 0.71183850037, -0.975048], "label": "Fe", "properties": {"magmom": 0.0}}]}, "density": 9.03148637419192, "energy": -16.7449329, "energy_per_atom": -8.37246645, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 09:42:53"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.23293, -2.135255, 0.0], [-1.23293, 2.135255, -0.0], [0.0, 0.0, -3.900192]], "a": 2.465650076536612, "b": 2.465650076536612, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99436715624762, "volume": 20.535446513829708}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.666687, 0.333313, 0.75], "xyz": [-1.23293, -0.7118385003700001, -2.925144], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.333313, 0.666687, 0.25], "xyz": [-1.23293, 0.7118385003700001, -0.975048], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0, 0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "POTIM": 0.25, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1061407", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79fc52e927b78dbe69005"}, "dir_name": "mc0836.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-16-21-21-973991/launcher_2018-03-20-17-21-18-140937", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 642106, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 3, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05882353, 0.0, 0.0], "genvec2": [0.0, 0.05882353, 0.0], "genvec3": [0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005767}, {"abc": [0.05882353, -0.0, -0.0], "weight": 0.00230681}, {"abc": [0.11764706, -0.0, -0.0], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, -0.0], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, -0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, -0.0], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, -0.0], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.0], "weight": 0.0011534}, {"abc": [0.11764706, 0.11764706, -0.0], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.0], "weight": 0.0011534}, {"abc": [0.17647059, 0.17647059, -0.0], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.0], "weight": 0.0011534}, {"abc": [0.23529412, 0.23529412, 0.0], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.0], "weight": 0.0011534}, {"abc": [0.29411765, 0.29411765, 0.0], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.0], "weight": 0.0011534}, {"abc": [0.35294118, 0.35294118, 0.0], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.0], "weight": 0.0011534}, {"abc": [0.41176471, 0.41176471, 0.0], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.0], "weight": 0.0011534}, {"abc": [0.47058824, 0.47058824, 0.0], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.0], "weight": 0.0011534}, {"abc": [0.0, 0.0, 0.16666667], "weight": 0.0011534}, {"abc": [0.05882353, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.11764706, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.16666667], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.11764706, 0.11764706, 0.16666667], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.17647059, 0.16666667], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.23529412, 0.16666667], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.29411765, 0.16666667], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.35294118, 0.16666667], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.41176471, 0.16666667], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.47058824, 0.16666667], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, -0.47058824, 0.16666667], "weight": 0.0011534}, {"abc": [-0.41176471, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, -0.41176471, 0.16666667], "weight": 0.0011534}, {"abc": [-0.35294118, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, -0.35294118, 0.16666667], "weight": 0.0011534}, {"abc": [-0.29411765, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.29411765, 0.16666667], "weight": 0.0011534}, {"abc": [-0.23529412, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.23529412, 0.16666667], "weight": 0.0011534}, {"abc": [-0.17647059, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.17647059, 0.16666667], "weight": 0.0011534}, {"abc": [-0.11764706, -0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.11764706, 0.16666667], "weight": 0.0011534}, {"abc": [-0.05882353, -0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.05882353, 0.16666667], "weight": 0.0011534}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.0011534}, {"abc": [0.05882353, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.11764706, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.33333333], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.11764706, 0.11764706, 0.33333333], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.17647059, 0.33333333], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.23529412, 0.33333333], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.29411765, 0.33333333], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.35294118, 0.33333333], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.41176471, 0.33333333], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.47058824, 0.33333333], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, -0.47058824, 0.33333333], "weight": 0.0011534}, {"abc": [-0.41176471, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, -0.41176471, 0.33333333], "weight": 0.0011534}, {"abc": [-0.35294118, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, -0.35294118, 0.33333333], "weight": 0.0011534}, {"abc": [-0.29411765, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.29411765, 0.33333333], "weight": 0.0011534}, {"abc": [-0.23529412, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.23529412, 0.33333333], "weight": 0.0011534}, {"abc": [-0.17647059, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.17647059, 0.33333333], "weight": 0.0011534}, {"abc": [-0.11764706, -0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.11764706, 0.33333333], "weight": 0.0011534}, {"abc": [-0.05882353, -0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.05882353, 0.33333333], "weight": 0.0011534}, {"abc": [0.0, 0.0, 0.5], "weight": 0.0005767}, {"abc": [0.05882353, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.11764706, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.5], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.5], "weight": 0.0011534}, {"abc": [0.11764706, 0.11764706, 0.5], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.5], "weight": 0.0011534}, {"abc": [0.17647059, 0.17647059, 0.5], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.5], "weight": 0.0011534}, {"abc": [0.23529412, 0.23529412, 0.5], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.5], "weight": 0.0011534}, {"abc": [0.29411765, 0.29411765, 0.5], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.5], "weight": 0.0011534}, {"abc": [0.35294118, 0.35294118, 0.5], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.5], "weight": 0.0011534}, {"abc": [0.41176471, 0.41176471, 0.5], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.5], "weight": 0.0011534}, {"abc": [0.47058824, 0.47058824, 0.5], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.5], "weight": 0.0011534}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 60, "NGXF": 48, "NGYF": 48, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 11.90141027, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.0629150192002004, -1.191024927414562, -0.2827597913297785], [2.0629150192002004, -1.191024927414562, -0.2827597913297785], [-0.0, -0.0, 0.8482795347870874]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.52289, -2.637722, 0.0], [1.52289, -2.637722, 0.0], [0.0, -1.758481, 7.406975]], "a": 3.0457792601211273, "b": 3.0457792601211273, "c": 7.612853215318551, "alpha": 78.46059480629798, "beta": 78.46059480629798, "gamma": 60.000016071418855, "volume": 59.5070513557533}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222205, 0.222205, 0.333384], "xyz": [0.0, -1.758479463724, 2.4693669534000002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777795, 0.777795, 0.666616], "xyz": [0.0, -5.275445536276, 4.9376080466], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -5.71520859, "e_wo_entrp": -5.71520859, "e_0_energy": 0.0, "forces": [[-0.0, 0.0, 0.0], [0.0, -0.0, -0.00287367], [0.0, 0.0, 0.00287367]], "stress": [[1.87345154, 0.0, -0.0], [0.0, 1.87345033, 1e-07], [0.0, 1e-07, 2.19243216]], "electronic_steps": [{"alphaZ": 3.48160791, "ewald": -207.41086483, "hartreedc": -124.9480906, "XCdc": 36.36487413, "pawpsdc": 200.75287879, "pawaedc": -246.96916671, "eentropy": 0.0, "bandstr": -260.11732604, "atom": 608.31854084, "e_fr_energy": 9.4724535, "e_wo_entrp": 9.4724535, "e_0_energy": 9.4724535}, {"e_fr_energy": -2.45561661, "e_wo_entrp": -2.45561661, "e_0_energy": -2.45561661}, {"e_fr_energy": -5.56362958, "e_wo_entrp": -5.56362958, "e_0_energy": -5.56362958}, {"e_fr_energy": -5.71604726, "e_wo_entrp": -5.71604726, "e_0_energy": -5.71604726}, {"e_fr_energy": -5.72004393, "e_wo_entrp": -5.72004393, "e_0_energy": -5.72004393}, {"e_fr_energy": -5.7167263, "e_wo_entrp": -5.7167263, "e_0_energy": -5.7167263}, {"e_fr_energy": -5.71520078, "e_wo_entrp": -5.71520078, "e_0_energy": -5.71520078}, {"alphaZ": 3.48160791, "ewald": -207.41086483, "hartreedc": -123.14639757, "XCdc": 36.233219, "pawpsdc": 206.77266466, "pawaedc": -253.13388958, "eentropy": 0.0, "bandstr": -276.83008902, "atom": 608.31854084, "e_fr_energy": -5.71520859, "e_wo_entrp": -5.71520859, "e_0_energy": -5.71520859}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.52289, -2.637722, 0.0], [1.52289, -2.637722, 0.0], [0.0, -1.758481, 7.406975]], "a": 3.0457792601211273, "b": 3.0457792601211273, "c": 7.612853215318551, "alpha": 78.46059480629798, "beta": 78.46059480629798, "gamma": 60.000016071418855, "volume": 59.5070513557533}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222205, 0.222205, 0.333384], "xyz": [0.0, -1.758479463724, 2.4693669534000002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777795, 0.777795, 0.666616], "xyz": [0.0, -5.275445536276, 4.9376080466], "label": "Li"}]}}], "efermi": 0.68012354, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.52289, -2.637722, 0.0], [1.52289, -2.637722, 0.0], [0.0, -1.758481, 7.406975]], "a": 3.0457792601211273, "b": 3.0457792601211273, "c": 7.612853215318551, "alpha": 78.46059480629798, "beta": 78.46059480629798, "gamma": 60.000016071418855, "volume": 59.5070513557533}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222205, 0.222205, 0.333384], "xyz": [0.0, -1.758479463724, 2.4693669534000002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777795, 0.777795, 0.666616], "xyz": [0.0, -5.275445536276, 4.9376080466], "label": "Li"}]}, "energy": -5.71520859, "energy_per_atom": -1.9050695299999998, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 0.6801, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.033, "p": 0.042, "d": 0.0, "tot": 2.076}, {"s": 2.034, "p": 0.042, "d": 0.0, "tot": 2.076}, {"s": 2.034, "p": 0.042, "d": 0.0, "tot": 2.076}], "total_magnetization": -5.52e-05, "nelect": 9.0000003, "is_stopped": false, "drift": [[-0.0, -0.0, 0.0]], "ngf": [48, 48, 120], "sampling_radii": [0.7079], "electrostatic_potential": [-64.889, -64.8851, -64.8851]}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-16-21-21-973991/launcher_2018-03-20-17-21-18-140937", "completed_at": "2018-03-20 10:22:09.973969", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 47784.0, "Elapsed time (sec)": 50.737, "System time (sec)": 2.445, "User time (sec)": 47.836, "Total CPU time used (sec)": 50.28, "cores": "16"}, "overall": {"Total CPU time used (sec)": 50.28, "User time (sec)": 47.836, "System time (sec)": 2.445, "Elapsed time (sec)": 50.737}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2018-03-20 10:22:09.973969", "nsites": 3, "composition_unit_cell": {"Li": 3.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.52289, -2.637722, 0.0], [1.52289, -2.637722, 0.0], [0.0, -1.758481, 7.406975]], "a": 3.0457792601211273, "b": 3.0457792601211273, "c": 7.612853215318551, "alpha": 78.46059480629798, "beta": 78.46059480629798, "gamma": 60.000016071418855, "volume": 59.5070513557533}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222205, 0.222205, 0.333384], "xyz": [0.0, -1.758479463724, 2.4693669534000002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777795, 0.777795, 0.666616], "xyz": [0.0, -5.275445536276, 4.9376080466], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 60, "NGXF": 48, "NGYF": 48, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 11.90141027, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.52289, -2.637722, 0.0], [1.52289, -2.637722, 0.0], [0.0, -1.758481, 7.406975]], "a": 3.0457792601211273, "b": 3.0457792601211273, "c": 7.612853215318551, "alpha": 78.46059480629798, "beta": 78.46059480629798, "gamma": 60.000016071418855, "volume": 59.5070513557533}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222205, 0.222205, 0.333384], "xyz": [1.902003328169144e-17, -1.758479463724, 2.4693669534000002], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777795, 0.777795, 0.666616], "xyz": [-8.777364719492198e-17, -5.275445536276, 4.9376080466], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5810639855637371, "energy": -5.71520859, "energy_per_atom": -1.9050695299999998, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "R-3m", "number": 166, "point_group": "-3m", "crystal_system": "trigonal", "hall": "-R 3 2\""}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 10:22:09"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.52289, -2.637722, -0.0], [1.52289, -2.637722, -0.0], [-0.0, -1.758481, 7.406975]], "a": 3.0457792601211273, "b": 3.0457792601211273, "c": 7.612853215318551, "alpha": 78.46059480629798, "beta": 78.46059480629798, "gamma": 60.000016071418855, "volume": 59.5070513557533}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222205, 0.222205, 0.333384], "xyz": [0.0, -1.758479463724, 2.4693669534000002], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777795, 0.777795, 0.666616], "xyz": [0.0, -5.275445536276, 4.9376080466], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 0.00015, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-0.0, -0.0, -0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1062029", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79fd82e927b78dbe69370"}, "dir_name": "mc0840.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-18-22-29-900359/launcher_2018-03-20-18-40-04-039824", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 642105, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 3, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05882353, -0.0, 0.0], "genvec2": [-0.0, 0.05882353, 0.0], "genvec3": [0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005767}, {"abc": [0.05882353, 0.0, -0.0], "weight": 0.00230681}, {"abc": [0.11764706, 0.0, -0.0], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, -0.0], "weight": 0.00230681}, {"abc": [0.23529412, 0.0, -0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, -0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.0, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.0, -0.0], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, -0.0], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.0], "weight": 0.0011534}, {"abc": [0.11764706, 0.11764706, -0.0], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.0], "weight": 0.0011534}, {"abc": [0.17647059, 0.17647059, -0.0], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, -0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, -0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, -0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.0], "weight": 0.0011534}, {"abc": [0.23529412, 0.23529412, -0.0], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.0], "weight": 0.0011534}, {"abc": [0.29411765, 0.29411765, 0.0], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.0], "weight": 0.0011534}, {"abc": [0.35294118, 0.35294118, -0.0], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, -0.0], "weight": 0.0011534}, {"abc": [0.41176471, 0.41176471, 0.0], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.0], "weight": 0.0011534}, {"abc": [0.47058824, 0.47058824, -0.0], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.0], "weight": 0.0011534}, {"abc": [0.0, 0.0, 0.16666667], "weight": 0.0011534}, {"abc": [0.05882353, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.11764706, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.16666667], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.11764706, 0.11764706, 0.16666667], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.17647059, 0.16666667], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.23529412, 0.16666667], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.29411765, 0.16666667], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.35294118, 0.16666667], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.41176471, 0.16666667], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.47058824, 0.16666667], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, -0.47058824, 0.16666667], "weight": 0.0011534}, {"abc": [-0.41176471, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, -0.41176471, 0.16666667], "weight": 0.0011534}, {"abc": [-0.35294118, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, -0.35294118, 0.16666667], "weight": 0.0011534}, {"abc": [-0.29411765, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.29411765, 0.16666667], "weight": 0.0011534}, {"abc": [-0.23529412, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.23529412, 0.16666667], "weight": 0.0011534}, {"abc": [-0.17647059, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.17647059, 0.16666667], "weight": 0.0011534}, {"abc": [-0.11764706, -0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.11764706, 0.16666667], "weight": 0.0011534}, {"abc": [-0.05882353, -0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.05882353, 0.16666667], "weight": 0.0011534}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.0011534}, {"abc": [0.05882353, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.11764706, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.33333333], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.11764706, 0.11764706, 0.33333333], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.17647059, 0.33333333], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.23529412, 0.33333333], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.29411765, 0.33333333], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.35294118, 0.33333333], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.41176471, 0.33333333], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.47058824, 0.33333333], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, -0.47058824, 0.33333333], "weight": 0.0011534}, {"abc": [-0.41176471, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, -0.41176471, 0.33333333], "weight": 0.0011534}, {"abc": [-0.35294118, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, -0.35294118, 0.33333333], "weight": 0.0011534}, {"abc": [-0.29411765, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.29411765, 0.33333333], "weight": 0.0011534}, {"abc": [-0.23529412, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.23529412, 0.33333333], "weight": 0.0011534}, {"abc": [-0.17647059, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.17647059, 0.33333333], "weight": 0.0011534}, {"abc": [-0.11764706, -0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.11764706, 0.33333333], "weight": 0.0011534}, {"abc": [-0.05882353, -0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.05882353, 0.33333333], "weight": 0.0011534}, {"abc": [0.0, 0.0, 0.5], "weight": 0.0005767}, {"abc": [0.05882353, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.11764706, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.17647059, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.5], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.5], "weight": 0.0011534}, {"abc": [0.11764706, 0.11764706, 0.5], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.5], "weight": 0.0011534}, {"abc": [0.17647059, 0.17647059, 0.5], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.5], "weight": 0.0011534}, {"abc": [0.23529412, 0.23529412, 0.5], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.5], "weight": 0.0011534}, {"abc": [0.29411765, 0.29411765, 0.5], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.5], "weight": 0.0011534}, {"abc": [0.35294118, 0.35294118, 0.5], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.5], "weight": 0.0011534}, {"abc": [0.41176471, 0.41176471, 0.5], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.5], "weight": 0.0011534}, {"abc": [0.47058824, 0.47058824, 0.5], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.5], "weight": 0.0011534}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 60, "NGXF": 48, "NGYF": 48, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 11.9131981, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.061654652081703, -1.1902970458807969, -0.2828256508128591], [2.061654652081703, -1.1902970458807969, -0.2828256508128591], [-0.0, -0.0, 0.8484767917017265]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.523821, -2.639335, 0.0], [1.523821, -2.639335, 0.0], [0.0, -1.759557, 7.405253]], "a": 3.047641659097408, "b": 3.047641659097408, "c": 7.611426464878841, "alpha": 78.45124211502176, "beta": 78.45124211502176, "gamma": 60.00000740045481, "volume": 59.565990475002465}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222103, 0.222103, 0.333692], "xyz": [0.0, -1.759558537454, 2.471073684076], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777897, 0.777897, 0.666308], "xyz": [0.0, -5.278668462545999, 4.934179315924], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -5.71526504, "e_wo_entrp": -5.71526504, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0], [0.0, 0.0, -0.00678335], [-0.0, -0.0, 0.00678335]], "stress": [[1.83924716, 0.0, 0.0], [0.0, 1.83924661, -1.1e-07], [0.0, -1.1e-07, 2.34651588]], "electronic_steps": [{"alphaZ": 3.47816294, "ewald": -207.34145299, "hartreedc": -124.97725659, "XCdc": 36.36308219, "pawpsdc": 200.75287879, "pawaedc": -246.96916671, "eentropy": 0.0, "bandstr": -260.19791647, "atom": 608.31854084, "e_fr_energy": 9.42687201, "e_wo_entrp": 9.42687201, "e_0_energy": 9.42687201}, {"e_fr_energy": -2.44535546, "e_wo_entrp": -2.44535546, "e_0_energy": -2.44535546}, {"e_fr_energy": -5.56451373, "e_wo_entrp": -5.56451373, "e_0_energy": -5.56451373}, {"e_fr_energy": -5.71606784, "e_wo_entrp": -5.71606784, "e_0_energy": -5.71606784}, {"e_fr_energy": -5.72013286, "e_wo_entrp": -5.72013286, "e_0_energy": -5.72013286}, {"e_fr_energy": -5.71679246, "e_wo_entrp": -5.71679246, "e_0_energy": -5.71679246}, {"e_fr_energy": -5.71524713, "e_wo_entrp": -5.71524713, "e_0_energy": -5.71524713}, {"alphaZ": 3.47816294, "ewald": -207.34145299, "hartreedc": -123.1567022, "XCdc": 36.22680624, "pawpsdc": 206.66962751, "pawaedc": -253.03185195, "eentropy": 0.0, "bandstr": -276.87839543, "atom": 608.31854084, "e_fr_energy": -5.71526504, "e_wo_entrp": -5.71526504, "e_0_energy": -5.71526504}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.523821, -2.639335, 0.0], [1.523821, -2.639335, 0.0], [0.0, -1.759557, 7.405253]], "a": 3.047641659097408, "b": 3.047641659097408, "c": 7.611426464878841, "alpha": 78.45124211502176, "beta": 78.45124211502176, "gamma": 60.00000740045481, "volume": 59.565990475002465}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222103, 0.222103, 0.333692], "xyz": [0.0, -1.759558537454, 2.471073684076], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777897, 0.777897, 0.666308], "xyz": [0.0, -5.278668462545999, 4.934179315924], "label": "Li"}]}}], "efermi": 0.6774189, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.523821, -2.639335, 0.0], [1.523821, -2.639335, 0.0], [0.0, -1.759557, 7.405253]], "a": 3.047641659097408, "b": 3.047641659097408, "c": 7.611426464878841, "alpha": 78.45124211502176, "beta": 78.45124211502176, "gamma": 60.00000740045481, "volume": 59.565990475002465}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222103, 0.222103, 0.333692], "xyz": [0.0, -1.759558537454, 2.471073684076], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777897, 0.777897, 0.666308], "xyz": [0.0, -5.278668462545999, 4.934179315924], "label": "Li"}]}, "energy": -5.71526504, "energy_per_atom": -1.9050883466666668, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 0.6774, "magnetization": [{"s": 0.0, "p": -0.0, "d": 0.0, "tot": -0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.033, "p": 0.042, "d": 0.0, "tot": 2.076}, {"s": 2.034, "p": 0.042, "d": 0.0, "tot": 2.076}, {"s": 2.034, "p": 0.042, "d": 0.0, "tot": 2.076}], "total_magnetization": 4.5e-06, "nelect": 9.0000003, "is_stopped": false, "drift": [[-0.0, -0.0, 0.0]], "ngf": [48, 48, 120], "sampling_radii": [0.7079], "electrostatic_potential": [-64.8975, -64.8893, -64.8893]}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-18-22-29-900359/launcher_2018-03-20-18-40-04-039824", "completed_at": "2018-03-20 11:40:56.004324", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 47540.0, "Elapsed time (sec)": 50.826, "System time (sec)": 2.397, "User time (sec)": 48.026, "Total CPU time used (sec)": 50.422, "cores": "16"}, "overall": {"Total CPU time used (sec)": 50.422, "User time (sec)": 48.026, "System time (sec)": 2.397, "Elapsed time (sec)": 50.826}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2018-03-20 11:40:56.004324", "nsites": 3, "composition_unit_cell": {"Li": 3.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.523821, -2.639335, 0.0], [1.523821, -2.639335, 0.0], [0.0, -1.759557, 7.405253]], "a": 3.047641659097408, "b": 3.047641659097408, "c": 7.611426464878841, "alpha": 78.45124211502176, "beta": 78.45124211502176, "gamma": 60.00000740045481, "volume": 59.565990475002465}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222103, 0.222103, 0.333692], "xyz": [0.0, -1.759558537454, 2.471073684076], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777897, 0.777897, 0.666308], "xyz": [0.0, -5.278668462545999, 4.934179315924], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 60, "NGXF": 48, "NGYF": 48, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 11.9131981, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.523821, -2.639335, 0.0], [1.523821, -2.639335, 0.0], [0.0, -1.759557, 7.405253]], "a": 3.047641659097408, "b": 3.047641659097408, "c": 7.611426464878841, "alpha": 78.45124211502176, "beta": 78.45124211502176, "gamma": 60.00000740045481, "volume": 59.565990475002465}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222103, 0.222103, 0.333692], "xyz": [1.1219696450126548e-17, -1.759558537454, 2.471073684076], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777897, 0.777897, 0.666308], "xyz": [-9.580875443049309e-17, -5.278668462546, 4.934179315924], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5804890366832864, "energy": -5.71526504, "energy_per_atom": -1.9050883466666668, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "R-3m", "number": 166, "point_group": "-3m", "crystal_system": "trigonal", "hall": "-R 3 2\""}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 11:40:56"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.523821, -2.639335, -0.0], [1.523821, -2.639335, -0.0], [0.0, -1.759557, 7.405253]], "a": 3.047641659097408, "b": 3.047641659097408, "c": 7.611426464878841, "alpha": 78.45124211502176, "beta": 78.45124211502176, "gamma": 60.00000740045481, "volume": 59.565990475002465}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [-0.0, -0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222103, 0.222103, 0.333692], "xyz": [0.0, -1.759558537454, 2.471073684076], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777897, 0.777897, 0.666308], "xyz": [0.0, -5.278668462545999, 4.934179315924], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 0.00015, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-0.0, -0.0, -0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1062910", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79fd82e927b78dbe693df"}, "dir_name": "mc0603.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-17-22-14-798110/launcher_2018-03-20-18-47-34-958356", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 1035, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 3, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[18, 10, 10]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05555556, 0.0, 0.0], "genvec2": [0.0, 0.1, 0.0], "genvec3": [0.0, -0.0, 0.1], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00055556}, {"abc": [0.05555556, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.11111111, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.16666667, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.22222222, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.27777778, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.38888889, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.44444444, 0.0, 0.0], "weight": 0.00111111}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00055556}, {"abc": [0.0, 0.1, 0.0], "weight": 0.00111111}, {"abc": [0.05555556, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.11111111, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.16666667, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.22222222, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.27777778, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.33333333, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.38888889, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.44444444, 0.1, 0.0], "weight": 0.00222222}, {"abc": [0.5, 0.1, 0.0], "weight": 0.00111111}, {"abc": [0.0, 0.2, 0.0], "weight": 0.00111111}, {"abc": [0.05555556, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.11111111, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.16666667, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.22222222, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.27777778, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.33333333, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.38888889, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.44444444, 0.2, 0.0], "weight": 0.00222222}, {"abc": [0.5, 0.2, 0.0], "weight": 0.00111111}, {"abc": [0.0, 0.3, 0.0], "weight": 0.00111111}, {"abc": [0.05555556, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.11111111, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.16666667, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.22222222, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.27777778, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.33333333, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.38888889, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.44444444, 0.3, 0.0], "weight": 0.00222222}, {"abc": [0.5, 0.3, 0.0], "weight": 0.00111111}, {"abc": [0.0, 0.4, 0.0], "weight": 0.00111111}, {"abc": [0.05555556, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.11111111, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.16666667, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.22222222, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.27777778, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.33333333, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.38888889, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.44444444, 0.4, 0.0], "weight": 0.00222222}, {"abc": [0.5, 0.4, 0.0], "weight": 0.00111111}, {"abc": [0.0, 0.5, 0.0], "weight": 0.00055556}, {"abc": [0.05555556, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.11111111, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.16666667, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.22222222, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.27777778, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.33333333, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.38888889, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.44444444, 0.5, 0.0], "weight": 0.00111111}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00055556}, {"abc": [0.0, -0.0, 0.1], "weight": 0.00222222}, {"abc": [0.05555556, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.11111111, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.16666667, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.22222222, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.27777778, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.33333333, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.38888889, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.44444444, -0.0, 0.1], "weight": 0.00444444}, {"abc": [0.5, -0.0, 0.1], "weight": 0.00222222}, {"abc": [0.0, 0.1, 0.1], "weight": 0.00222222}, {"abc": [0.05555556, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.11111111, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.16666667, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.22222222, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.27777778, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.33333333, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.38888889, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.44444444, 0.1, 0.1], "weight": 0.00444444}, {"abc": [0.5, 0.1, 0.1], "weight": 0.00222222}, {"abc": [0.0, 0.2, 0.1], "weight": 0.00222222}, {"abc": [0.05555556, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.11111111, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.16666667, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.22222222, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.27777778, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.33333333, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.38888889, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.44444444, 0.2, 0.1], "weight": 0.00444444}, {"abc": [0.5, 0.2, 0.1], "weight": 0.00222222}, {"abc": [0.0, 0.3, 0.1], "weight": 0.00222222}, {"abc": [0.05555556, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.11111111, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.16666667, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.22222222, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.27777778, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.33333333, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.38888889, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.44444444, 0.3, 0.1], "weight": 0.00444444}, {"abc": [0.5, 0.3, 0.1], "weight": 0.00222222}, {"abc": [0.0, 0.4, 0.1], "weight": 0.00222222}, {"abc": [0.05555556, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.11111111, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.16666667, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.22222222, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.27777778, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.33333333, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.38888889, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.44444444, 0.4, 0.1], "weight": 0.00444444}, {"abc": [0.5, 0.4, 0.1], "weight": 0.00222222}, {"abc": [0.0, -0.0, 0.2], "weight": 0.00222222}, {"abc": [0.05555556, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.11111111, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.16666667, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.22222222, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.27777778, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.33333333, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.38888889, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.44444444, -0.0, 0.2], "weight": 0.00444444}, {"abc": [0.5, -0.0, 0.2], "weight": 0.00222222}, {"abc": [0.0, 0.1, 0.2], "weight": 0.00222222}, {"abc": [0.05555556, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.11111111, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.16666667, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.22222222, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.27777778, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.33333333, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.38888889, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.44444444, 0.1, 0.2], "weight": 0.00444444}, {"abc": [0.5, 0.1, 0.2], "weight": 0.00222222}, {"abc": [0.0, 0.2, 0.2], "weight": 0.00222222}, {"abc": [0.05555556, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.11111111, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.16666667, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.22222222, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.27777778, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.33333333, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.38888889, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.44444444, 0.2, 0.2], "weight": 0.00444444}, {"abc": [0.5, 0.2, 0.2], "weight": 0.00222222}, {"abc": [0.0, 0.3, 0.2], "weight": 0.00222222}, {"abc": [0.05555556, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.11111111, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.16666667, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.22222222, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.27777778, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.33333333, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.38888889, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.44444444, 0.3, 0.2], "weight": 0.00444444}, {"abc": [0.5, 0.3, 0.2], "weight": 0.00222222}, {"abc": [0.0, 0.4, 0.2], "weight": 0.00111111}, {"abc": [0.05555556, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.11111111, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.16666667, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.22222222, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.27777778, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.33333333, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.38888889, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.44444444, 0.4, 0.2], "weight": 0.00222222}, {"abc": [0.5, 0.4, 0.2], "weight": 0.00111111}, {"abc": [0.0, -0.1, 0.2], "weight": 0.00111111}, {"abc": [0.05555556, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.11111111, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.16666667, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.22222222, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.27777778, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.33333333, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.38888889, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.44444444, -0.1, 0.2], "weight": 0.00222222}, {"abc": [0.5, -0.1, 0.2], "weight": 0.00111111}, {"abc": [0.0, -0.0, 0.3], "weight": 0.00222222}, {"abc": [0.05555556, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.11111111, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.16666667, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.22222222, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.27777778, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.33333333, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.38888889, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.44444444, -0.0, 0.3], "weight": 0.00444444}, {"abc": [0.5, -0.0, 0.3], "weight": 0.00222222}, {"abc": [0.0, 0.1, 0.3], "weight": 0.00222222}, {"abc": [0.05555556, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.11111111, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.16666667, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.22222222, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.27777778, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.33333333, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.38888889, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.44444444, 0.1, 0.3], "weight": 0.00444444}, {"abc": [0.5, 0.1, 0.3], "weight": 0.00222222}, {"abc": [0.0, 0.2, 0.3], "weight": 0.00222222}, {"abc": [0.05555556, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.11111111, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.16666667, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.22222222, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.27777778, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.33333333, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.38888889, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.44444444, 0.2, 0.3], "weight": 0.00444444}, {"abc": [0.5, 0.2, 0.3], "weight": 0.00222222}, {"abc": [0.0, 0.3, 0.3], "weight": 0.00222222}, {"abc": [0.05555556, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.11111111, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.16666667, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.22222222, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.27777778, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.33333333, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.38888889, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.44444444, 0.3, 0.3], "weight": 0.00444444}, {"abc": [0.5, 0.3, 0.3], "weight": 0.00222222}, {"abc": [0.0, -0.2, 0.3], "weight": 0.00222222}, {"abc": [0.05555556, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.11111111, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.16666667, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.22222222, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.27777778, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.33333333, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.38888889, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.44444444, -0.2, 0.3], "weight": 0.00444444}, {"abc": [0.5, -0.2, 0.3], "weight": 0.00222222}, {"abc": [0.0, -0.0, 0.4], "weight": 0.00222222}, {"abc": [0.05555556, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.11111111, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.16666667, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.22222222, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.27777778, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.33333333, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.38888889, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.44444444, -0.0, 0.4], "weight": 0.00444444}, {"abc": [0.5, -0.0, 0.4], "weight": 0.00222222}, {"abc": [0.0, 0.1, 0.4], "weight": 0.00222222}, {"abc": [0.05555556, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.11111111, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.16666667, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.22222222, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.27777778, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.33333333, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.38888889, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.44444444, 0.1, 0.4], "weight": 0.00444444}, {"abc": [0.5, 0.1, 0.4], "weight": 0.00222222}, {"abc": [0.0, 0.2, 0.4], "weight": 0.00222222}, {"abc": [0.05555556, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.11111111, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.16666667, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.22222222, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.27777778, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.33333333, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.38888889, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.44444444, 0.2, 0.4], "weight": 0.00444444}, {"abc": [0.5, 0.2, 0.4], "weight": 0.00222222}, {"abc": [0.0, 0.3, 0.4], "weight": 0.00111111}, {"abc": [0.05555556, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.11111111, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.16666667, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.22222222, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.27777778, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.33333333, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.38888889, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.44444444, 0.3, 0.4], "weight": 0.00222222}, {"abc": [0.5, 0.3, 0.4], "weight": 0.00111111}, {"abc": [0.0, -0.3, 0.4], "weight": 0.00222222}, {"abc": [0.05555556, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.11111111, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.16666667, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.22222222, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.27777778, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.33333333, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.38888889, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.44444444, -0.3, 0.4], "weight": 0.00444444}, {"abc": [0.5, -0.3, 0.4], "weight": 0.00222222}, {"abc": [0.0, -0.2, 0.4], "weight": 0.00111111}, {"abc": [0.05555556, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.11111111, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.16666667, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.22222222, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.27777778, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.33333333, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.38888889, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.44444444, -0.2, 0.4], "weight": 0.00222222}, {"abc": [0.5, -0.2, 0.4], "weight": 0.00111111}, {"abc": [0.0, -0.0, 0.5], "weight": 0.00111111}, {"abc": [0.05555556, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.11111111, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.16666667, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.22222222, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.27777778, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.33333333, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.38888889, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.44444444, -0.0, 0.5], "weight": 0.00222222}, {"abc": [0.5, -0.0, 0.5], "weight": 0.00111111}, {"abc": [0.0, 0.1, 0.5], "weight": 0.00222222}, {"abc": [0.05555556, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.11111111, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.16666667, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.22222222, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.27777778, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.33333333, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.38888889, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.44444444, 0.1, 0.5], "weight": 0.00444444}, {"abc": [0.5, 0.1, 0.5], "weight": 0.00222222}, {"abc": [0.0, 0.2, 0.5], "weight": 0.00222222}, {"abc": [0.05555556, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.11111111, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.16666667, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.22222222, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.27777778, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.33333333, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.38888889, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.44444444, 0.2, 0.5], "weight": 0.00444444}, {"abc": [0.5, 0.2, 0.5], "weight": 0.00222222}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 36, "NGZ": 36, "NGXF": 48, "NGYF": 72, "NGZF": 72, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.04080243, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-0.0, -0.0, -2.1747085385266782], [-1.2809967000740545, -0.7395838381059459, -0.0], [-1.2809195079115452, 0.739450259480979, -0.0]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.4163482473919997, -1.444604], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -5.67857919, "e_wo_entrp": -5.67857919, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0], [-0.00042778, -0.00024698, 0.0], [0.00042778, 0.00024698, 0.0]], "stress": [[0.18841193, 0.01135919, 0.0], [0.01135919, 0.17529543, 0.0], [0.0, 0.0, 0.80331761]], "electronic_steps": [{"alphaZ": 3.44130255, "ewald": -206.29678627, "hartreedc": -125.4482992, "XCdc": 36.34524461, "pawpsdc": 200.75287879, "pawaedc": -246.96916671, "eentropy": 0.0, "bandstr": -260.74682982, "atom": 608.31854084, "e_fr_energy": 9.39688479, "e_wo_entrp": 9.39688479, "e_0_energy": 9.39688479}, {"e_fr_energy": -2.36684073, "e_wo_entrp": -2.36684073, "e_0_energy": -2.36684073}, {"e_fr_energy": -5.50275725, "e_wo_entrp": -5.50275725, "e_0_energy": -5.50275725}, {"e_fr_energy": -5.67970147, "e_wo_entrp": -5.67970147, "e_0_energy": -5.67970147}, {"e_fr_energy": -5.68368847, "e_wo_entrp": -5.68368847, "e_0_energy": -5.68368847}, {"e_fr_energy": -5.68021041, "e_wo_entrp": -5.68021041, "e_0_energy": -5.68021041}, {"e_fr_energy": -5.67856974, "e_wo_entrp": -5.67856974, "e_0_energy": -5.67856974}, {"alphaZ": 3.44130255, "ewald": -206.29678627, "hartreedc": -123.58411954, "XCdc": 36.20600512, "pawpsdc": 206.46520045, "pawaedc": -252.84225175, "eentropy": 0.0, "bandstr": -277.3864706, "atom": 608.31854084, "e_fr_energy": -5.67857919, "e_wo_entrp": -5.67857919, "e_0_energy": -5.67857919}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.4163482473919997, -1.444604], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li"}]}}], "efermi": 0.67270571, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.4163482473919997, -1.444604], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li"}]}, "energy": -5.67857919, "energy_per_atom": -1.8928597299999999, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 0.6727, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": 0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.034, "p": 0.04, "d": 0.0, "tot": 2.074}, {"s": 2.033, "p": 0.043, "d": 0.0, "tot": 2.075}, {"s": 2.033, "p": 0.043, "d": 0.0, "tot": 2.075}], "total_magnetization": 2.11e-05, "nelect": 8.9999976, "is_stopped": false, "drift": [[-0.0, 0.0, -0.0]], "ngf": [48, 72, 72], "sampling_radii": [0.7079], "electrostatic_potential": [-64.8846, -65.005, -65.005]}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-17-22-14-798110/launcher_2018-03-20-18-47-34-958356", "completed_at": "2018-03-20 11:48:09.795892", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 40388.0, "Elapsed time (sec)": 33.778, "System time (sec)": 1.981, "User time (sec)": 31.485, "Total CPU time used (sec)": 33.466, "cores": "16"}, "overall": {"Total CPU time used (sec)": 33.466, "User time (sec)": 31.485, "System time (sec)": 1.981, "Elapsed time (sec)": 33.778}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2018-03-20 11:48:09.795892", "nsites": 3, "composition_unit_cell": {"Li": 3.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.4163482473919997, -1.444604], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 36, "NGZ": 36, "NGXF": 48, "NGYF": 72, "NGZF": 72, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.04080243, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.416348247392, -1.444604], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5743372110494767, "energy": -5.67857919, "energy_per_atom": -1.8928597299999999, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6/mmm", "number": 191, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6 2"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 11:48:09"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 0.0, -2.889208], [-2.452312, -4.24804, 0.0], [-2.452755, 4.248296, 0.0]], "a": 2.889208, "b": 4.9050665629473365, "c": 4.905509758795817, "alpha": 120.00298296993162, "beta": 90.0, "gamma": 90.0, "volume": 60.20401214599572}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, -0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.333255, 0.666627], "xyz": [-2.4523179429449997, 1.4163482473919997, -1.444604], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.666745, 0.333373], "xyz": [-2.452749057055, -1.4160922473920001, -1.444604], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 0.00015, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.0, 0.0, 0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[18, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1063018", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc79fe52e927b78dbe69670"}, "dir_name": "mc0619.nersc.gov:/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-18-21-21-429923/launcher_2018-03-20-19-21-23-871608", "task_label": "static", "tags": ["new_ordered_icsd_2017", "mp_2018", "mp_production_old", "prod"], "icsd_id": 426951, "schema": {"code": "atomate", "version": "0.6.6"}, "calcs_reversed": [{"vasp_version": "5.4.1", "has_vasp_completed": true, "nsites": 3, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05882353, -0.0, 0.0], "genvec2": [-0.0, 0.05882353, 0.0], "genvec3": [-0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005767}, {"abc": [0.05882353, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.11764706, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.17647059, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.29411765, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, 0.0], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.0], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, -0.0], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, -0.0], "weight": 0.0011534}, {"abc": [0.11764706, 0.11764706, 0.0], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, -0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.0], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.0], "weight": 0.0011534}, {"abc": [0.17647059, 0.17647059, 0.0], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, -0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.0], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.0], "weight": 0.0011534}, {"abc": [0.23529412, 0.23529412, 0.0], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, -0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.0], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.0], "weight": 0.0011534}, {"abc": [0.29411765, 0.29411765, 0.0], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, -0.0], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, -0.0], "weight": 0.0011534}, {"abc": [0.35294118, 0.35294118, 0.0], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.0], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.0], "weight": 0.0011534}, {"abc": [0.41176471, 0.41176471, 0.0], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.0], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.0], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, -0.0], "weight": 0.0011534}, {"abc": [0.47058824, 0.47058824, 0.0], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.0], "weight": 0.0011534}, {"abc": [0.0, -0.0, 0.16666667], "weight": 0.0011534}, {"abc": [0.05882353, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.11764706, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.0, 0.16666667], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.16666667], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.16666667], "weight": 0.00230681}, {"abc": [0.11764706, 0.11764706, 0.16666667], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [0.17647059, 0.17647059, 0.16666667], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [0.23529412, 0.23529412, 0.16666667], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [0.29411765, 0.29411765, 0.16666667], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [0.35294118, 0.35294118, 0.16666667], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [0.41176471, 0.41176471, 0.16666667], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [0.47058824, 0.47058824, 0.16666667], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, 0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.47058824, -0.47058824, 0.16666667], "weight": 0.0011534}, {"abc": [-0.41176471, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.47058824, 0.16666667], "weight": 0.00230681}, {"abc": [-0.41176471, -0.41176471, 0.16666667], "weight": 0.0011534}, {"abc": [-0.35294118, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.41176471, 0.16666667], "weight": 0.00230681}, {"abc": [-0.35294118, -0.35294118, 0.16666667], "weight": 0.0011534}, {"abc": [-0.29411765, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.35294118, 0.16666667], "weight": 0.00230681}, {"abc": [-0.29411765, -0.29411765, 0.16666667], "weight": 0.0011534}, {"abc": [-0.23529412, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.29411765, 0.16666667], "weight": 0.00230681}, {"abc": [-0.23529412, -0.23529412, 0.16666667], "weight": 0.0011534}, {"abc": [-0.17647059, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.23529412, 0.16666667], "weight": 0.00230681}, {"abc": [-0.17647059, -0.17647059, 0.16666667], "weight": 0.0011534}, {"abc": [-0.11764706, -0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.17647059, 0.16666667], "weight": 0.00230681}, {"abc": [-0.11764706, -0.11764706, 0.16666667], "weight": 0.0011534}, {"abc": [-0.05882353, -0.11764706, 0.16666667], "weight": 0.00230681}, {"abc": [-0.05882353, -0.05882353, 0.16666667], "weight": 0.0011534}, {"abc": [0.0, -0.0, 0.33333333], "weight": 0.0011534}, {"abc": [0.05882353, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.11764706, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.0, 0.33333333], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.33333333], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.33333333], "weight": 0.00230681}, {"abc": [0.11764706, 0.11764706, 0.33333333], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [0.17647059, 0.17647059, 0.33333333], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [0.23529412, 0.23529412, 0.33333333], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [0.29411765, 0.29411765, 0.33333333], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [0.35294118, 0.35294118, 0.33333333], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [0.41176471, 0.41176471, 0.33333333], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [0.47058824, 0.47058824, 0.33333333], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, 0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.47058824, -0.47058824, 0.33333333], "weight": 0.0011534}, {"abc": [-0.41176471, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.47058824, 0.33333333], "weight": 0.00230681}, {"abc": [-0.41176471, -0.41176471, 0.33333333], "weight": 0.0011534}, {"abc": [-0.35294118, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.41176471, 0.33333333], "weight": 0.00230681}, {"abc": [-0.35294118, -0.35294118, 0.33333333], "weight": 0.0011534}, {"abc": [-0.29411765, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.35294118, 0.33333333], "weight": 0.00230681}, {"abc": [-0.29411765, -0.29411765, 0.33333333], "weight": 0.0011534}, {"abc": [-0.23529412, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.29411765, 0.33333333], "weight": 0.00230681}, {"abc": [-0.23529412, -0.23529412, 0.33333333], "weight": 0.0011534}, {"abc": [-0.17647059, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.23529412, 0.33333333], "weight": 0.00230681}, {"abc": [-0.17647059, -0.17647059, 0.33333333], "weight": 0.0011534}, {"abc": [-0.11764706, -0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.17647059, 0.33333333], "weight": 0.00230681}, {"abc": [-0.11764706, -0.11764706, 0.33333333], "weight": 0.0011534}, {"abc": [-0.05882353, -0.11764706, 0.33333333], "weight": 0.00230681}, {"abc": [-0.05882353, -0.05882353, 0.33333333], "weight": 0.0011534}, {"abc": [0.0, 0.0, 0.5], "weight": 0.0005767}, {"abc": [0.05882353, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.11764706, 0.0, 0.5], "weight": 0.00230681}, {"abc": [0.17647059, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, -0.0, 0.5], "weight": 0.00230681}, {"abc": [0.05882353, 0.05882353, 0.5], "weight": 0.0011534}, {"abc": [0.11764706, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.17647059, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.11764706, 0.05882353, 0.5], "weight": 0.00230681}, {"abc": [-0.05882353, 0.05882353, 0.5], "weight": 0.0011534}, {"abc": [0.11764706, 0.11764706, 0.5], "weight": 0.0011534}, {"abc": [0.17647059, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.23529412, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.11764706, 0.5], "weight": 0.00230681}, {"abc": [-0.11764706, 0.11764706, 0.5], "weight": 0.0011534}, {"abc": [0.17647059, 0.17647059, 0.5], "weight": 0.0011534}, {"abc": [0.23529412, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.29411765, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.17647059, 0.5], "weight": 0.00230681}, {"abc": [-0.17647059, 0.17647059, 0.5], "weight": 0.0011534}, {"abc": [0.23529412, 0.23529412, 0.5], "weight": 0.0011534}, {"abc": [0.29411765, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.35294118, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.23529412, 0.5], "weight": 0.00230681}, {"abc": [-0.23529412, 0.23529412, 0.5], "weight": 0.0011534}, {"abc": [0.29411765, 0.29411765, 0.5], "weight": 0.0011534}, {"abc": [0.35294118, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [0.41176471, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.29411765, 0.5], "weight": 0.00230681}, {"abc": [-0.29411765, 0.29411765, 0.5], "weight": 0.0011534}, {"abc": [0.35294118, 0.35294118, 0.5], "weight": 0.0011534}, {"abc": [0.41176471, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [0.47058824, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.35294118, 0.5], "weight": 0.00230681}, {"abc": [-0.35294118, 0.35294118, 0.5], "weight": 0.0011534}, {"abc": [0.41176471, 0.41176471, 0.5], "weight": 0.0011534}, {"abc": [0.47058824, 0.41176471, 0.5], "weight": 0.00230681}, {"abc": [-0.47058824, 0.41176471, 0.5], "weight": 0.00230681}, {"abc": [-0.41176471, 0.41176471, 0.5], "weight": 0.0011534}, {"abc": [0.47058824, 0.47058824, 0.5], "weight": 0.0011534}, {"abc": [-0.47058824, 0.47058824, 0.5], "weight": 0.0011534}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 56, "NGXF": 48, "NGYF": 48, "NGZF": 112, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 11.98948645, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.9253642863266862, -1.1428968722455488, 0.8265278170054406], [9.815757413383191e-05, 2.3867109193868066, 0.00047776254946381257], [-0.17000859551303982, -0.10091715809137206, -0.8274831640839896]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-2.998881, 0.0, 0.616128], [-1.562733, 2.632635, 0.0], [-2.996321, 0.00152, -6.977711]], "a": 3.061519388236011, "b": 3.0615194711962883, "c": 7.593839124248156, "alpha": 78.37067915391435, "beta": 78.37068969573986, "gamma": 60.000002170458195, "volume": 59.94743223104595}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777809, 0.777809, 0.666573], "xyz": [-5.5453311016589995, 2.0487003876750003, -4.171923850851], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222191, 0.222191, 0.333427], "xyz": [-2.0126038983409997, 0.585454612325, -2.1896591491489996], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -5.71546748, "e_wo_entrp": -5.71546748, "e_0_energy": 0.0, "forces": [[0.0, -0.0, 0.0], [-0.00045423, -0.00026963, -0.0022109], [0.00045423, 0.00026963, 0.0022109]], "stress": [[0.42074233, 0.03879285, 0.31808727], [0.03879285, 0.37841799, 0.18881663], [0.31808727, 0.18881663, 1.90361875]], "electronic_steps": [{"alphaZ": 3.45603161, "ewald": -206.89604423, "hartreedc": -125.16351676, "XCdc": 36.35154951, "pawpsdc": 200.75287879, "pawaedc": -246.96916671, "eentropy": 0.0, "bandstr": -260.41128592, "atom": 608.31854084, "e_fr_energy": 9.43898712, "e_wo_entrp": 9.43898712, "e_0_energy": 9.43898712}, {"e_fr_energy": -2.42689728, "e_wo_entrp": -2.42689728, "e_0_energy": -2.42689728}, {"e_fr_energy": -5.56979551, "e_wo_entrp": -5.56979551, "e_0_energy": -5.56979551}, {"e_fr_energy": -5.71646837, "e_wo_entrp": -5.71646837, "e_0_energy": -5.71646837}, {"e_fr_energy": -5.72039945, "e_wo_entrp": -5.72039945, "e_0_energy": -5.72039945}, {"e_fr_energy": -5.71702727, "e_wo_entrp": -5.71702727, "e_0_energy": -5.71702727}, {"e_fr_energy": -5.71545376, "e_wo_entrp": -5.71545376, "e_0_energy": -5.71545376}, {"alphaZ": 3.45603161, "ewald": -206.89604423, "hartreedc": -123.33791277, "XCdc": 36.21614915, "pawpsdc": 206.59402285, "pawaedc": -252.96775354, "eentropy": 0.0, "bandstr": -277.09850138, "atom": 608.31854084, "e_fr_energy": -5.71546748, "e_wo_entrp": -5.71546748, "e_0_energy": -5.71546748}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-2.998881, 0.0, 0.616128], [-1.562733, 2.632635, 0.0], [-2.996321, 0.00152, -6.977711]], "a": 3.061519388236011, "b": 3.0615194711962883, "c": 7.593839124248156, "alpha": 78.37067915391435, "beta": 78.37068969573986, "gamma": 60.000002170458195, "volume": 59.94743223104595}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777809, 0.777809, 0.666573], "xyz": [-5.5453311016589995, 2.0487003876750003, -4.171923850851], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222191, 0.222191, 0.333427], "xyz": [-2.0126038983409997, 0.585454612325, -2.1896591491489996], "label": "Li"}]}}], "efermi": 0.65861747, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-2.998881, 0.0, 0.616128], [-1.562733, 2.632635, 0.0], [-2.996321, 0.00152, -6.977711]], "a": 3.061519388236011, "b": 3.0615194711962883, "c": 7.593839124248156, "alpha": 78.37067915391435, "beta": 78.37068969573986, "gamma": 60.000002170458195, "volume": 59.94743223104595}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777809, 0.777809, 0.666573], "xyz": [-5.5453311016589995, 2.0487003876750003, -4.171923850851], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222191, 0.222191, 0.333427], "xyz": [-2.0126038983409997, 0.585454612325, -2.1896591491489996], "label": "Li"}]}, "energy": -5.71546748, "energy_per_atom": -1.9051558266666666, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 0.6586, "magnetization": [{"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.033, "p": 0.042, "d": 0.0, "tot": 2.075}, {"s": 2.033, "p": 0.042, "d": 0.0, "tot": 2.075}, {"s": 2.033, "p": 0.042, "d": 0.0, "tot": 2.075}], "total_magnetization": 2.02e-05, "nelect": 8.9999996, "is_stopped": false, "drift": [[-0.0, 0.0, -0.0]], "ngf": [48, 48, 112], "sampling_radii": [0.7079], "electrostatic_potential": [-64.9249, -64.9204, -64.9204]}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden_atomate/block_2017-12-09-08-37-05-088670/launcher_2018-03-20-18-21-21-429923/launcher_2018-03-20-19-21-23-871608", "completed_at": "2018-03-20 12:22:15.217594", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "locpot": "LOCPOT.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 46924.0, "Elapsed time (sec)": 49.562, "System time (sec)": 2.296, "User time (sec)": 46.943, "Total CPU time used (sec)": 49.239, "cores": "16"}, "overall": {"Total CPU time used (sec)": 49.239, "User time (sec)": 46.943, "System time (sec)": 2.296, "Elapsed time (sec)": 49.562}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2018-03-20 12:22:15.217594", "nsites": 3, "composition_unit_cell": {"Li": 3.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-2.998881, 0.0, 0.616128], [-1.562733, 2.632635, 0.0], [-2.996321, 0.00152, -6.977711]], "a": 3.061519388236011, "b": 3.0615194711962883, "c": 7.593839124248156, "alpha": 78.37067915391435, "beta": 78.37068969573986, "gamma": 60.000002170458195, "volume": 59.94743223104595}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777809, 0.777809, 0.666573], "xyz": [-5.5453311016589995, 2.0487003876750003, -4.171923850851], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222191, 0.222191, 0.333427], "xyz": [-2.0126038983409997, 0.585454612325, -2.1896591491489996], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.0, 0.0, 0.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 4.69e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 56, "NGXF": 48, "NGYF": 48, "NGZF": 112, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 4, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 11.98948645, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 0, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.0, 0.0, 0.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-2.998881, 0.0, 0.616128], [-1.562733, 2.632635, 0.0], [-2.996321, 0.00152, -6.977711]], "a": 3.061519388236011, "b": 3.0615194711962883, "c": 7.593839124248156, "alpha": 78.37067915391435, "beta": 78.37068969573986, "gamma": 60.00000217045818, "volume": 59.94743223104595}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777809, 0.777809, 0.666573], "xyz": [-5.5453311016589995, 2.0487003876750003, -4.171923850851], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222191, 0.222191, 0.333427], "xyz": [-2.0126038983409997, 0.585454612325, -2.189659149149], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5767954213060161, "energy": -5.71546748, "energy_per_atom": -1.9051558266666666, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "R-3m", "number": 166, "point_group": "-3m", "crystal_system": "trigonal", "hall": "-R 3 2\""}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2018-03-20 12:22:15"}, "transformations": {}, "custodian": [{"job": {"@module": "custodian.vasp.jobs", "@class": "VaspJob", "vasp_cmd": ["srun", "-n", "16", "/usr/common/usg/vasp/5.4.1/bin/vasp"], "output_file": "vasp.out", "stderr_file": "std_err.txt", "suffix": "", "final": true, "backup": true, "auto_npar": false, "auto_gamma": true, "settings_override": null, "gamma_vasp_cmd": null, "copy_magmom": false, "auto_continue": false}, "corrections": []}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-2.998881, 0.0, 0.616128], [-1.562733, 2.632635, -0.0], [-2.996321, 0.00152, -6.977711]], "a": 3.061519388236011, "b": 3.0615194711962883, "c": 7.593839124248156, "alpha": 78.37067915391435, "beta": 78.37068969573986, "gamma": 60.000002170458195, "volume": 59.94743223104595}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, -0.0, -0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.777809, 0.777809, 0.666573], "xyz": [-5.5453311016589995, 2.0487003876750003, -4.171923850851], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222191, 0.222191, 0.333427], "xyz": [-2.0126038983409997, 0.585454612325, -2.1896591491489996], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "incar": {"ALGO": "Normal", "EDIFF": 0.00015, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-0.0, -0.0, -0.0], "NCORE": 4, "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-1063475", "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a116c948a4f342aa60da6"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-886710", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.06718478045805687, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 4, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-2.225, -2.231, 2.227, 2.228], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 3]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, -0.0, -0.0], "genvec2": [-0.0, 0.08333333, 0.0], "genvec3": [0.0, 0.0, 0.33333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00231481}, {"abc": [0.08333333, -0.0, 0.0], "weight": 0.00462963}, {"abc": [0.16666667, -0.0, 0.0], "weight": 0.00462963}, {"abc": [0.25, -0.0, -0.0], "weight": 0.00462963}, {"abc": [0.33333333, -0.0, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, -0.0, -0.0], "weight": 0.00462963}, {"abc": [0.5, -0.0, -0.0], "weight": 0.00231481}, {"abc": [0.0, 0.08333333, -0.0], "weight": 0.00462963}, {"abc": [0.08333333, 0.08333333, -0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.08333333, -0.0], "weight": 0.00462963}, {"abc": [0.25, 0.08333333, 0.0], "weight": 0.00462963}, {"abc": [0.33333333, 0.08333333, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, 0.08333333, 0.0], "weight": 0.00462963}, {"abc": [0.5, 0.08333333, -0.0], "weight": 0.00462963}, {"abc": [-0.41666667, 0.08333333, 0.0], "weight": 0.00462963}, {"abc": [-0.33333333, 0.08333333, 0.0], "weight": 0.00462963}, {"abc": [-0.25, 0.08333333, 0.0], "weight": 0.00462963}, {"abc": [-0.16666667, 0.08333333, -0.0], "weight": 0.00462963}, {"abc": [-0.08333333, 0.08333333, -0.0], "weight": 0.00462963}, {"abc": [0.0, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [0.08333333, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [0.25, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [0.33333333, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [0.5, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [-0.41666667, 0.16666667, 0.0], "weight": 0.00462963}, {"abc": [-0.33333333, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [-0.25, 0.16666667, 0.0], "weight": 0.00462963}, {"abc": [-0.16666667, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [-0.08333333, 0.16666667, -0.0], "weight": 0.00462963}, {"abc": [0.0, 0.25, -0.0], "weight": 0.00462963}, {"abc": [0.08333333, 0.25, -0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.25, -0.0], "weight": 0.00462963}, {"abc": [0.25, 0.25, -0.0], "weight": 0.00462963}, {"abc": [0.33333333, 0.25, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, 0.25, -0.0], "weight": 0.00462963}, {"abc": [0.5, 0.25, -0.0], "weight": 0.00462963}, {"abc": [-0.41666667, 0.25, -0.0], "weight": 0.00462963}, {"abc": [-0.33333333, 0.25, 0.0], "weight": 0.00462963}, {"abc": [-0.25, 0.25, -0.0], "weight": 0.00462963}, {"abc": [-0.16666667, 0.25, -0.0], "weight": 0.00462963}, {"abc": [-0.08333333, 0.25, -0.0], "weight": 0.00462963}, {"abc": [0.0, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [0.08333333, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [0.25, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [0.33333333, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [0.5, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [-0.41666667, 0.33333333, 0.0], "weight": 0.00462963}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00462963}, {"abc": [-0.25, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [-0.16666667, 0.33333333, 0.0], "weight": 0.00462963}, {"abc": [-0.08333333, 0.33333333, 0.0], "weight": 0.00462963}, {"abc": [0.0, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [0.08333333, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [0.25, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [0.33333333, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [0.5, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [-0.41666667, 0.41666667, 0.0], "weight": 0.00462963}, {"abc": [-0.33333333, 0.41666667, 0.0], "weight": 0.00462963}, {"abc": [-0.25, 0.41666667, 0.0], "weight": 0.00462963}, {"abc": [-0.16666667, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [-0.08333333, 0.41666667, -0.0], "weight": 0.00462963}, {"abc": [0.0, 0.5, -0.0], "weight": 0.00231481}, {"abc": [0.08333333, 0.5, -0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.5, -0.0], "weight": 0.00462963}, {"abc": [0.25, 0.5, -0.0], "weight": 0.00462963}, {"abc": [0.33333333, 0.5, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, 0.5, -0.0], "weight": 0.00462963}, {"abc": [0.5, 0.5, -0.0], "weight": 0.00231481}, {"abc": [-0.0, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, -0.0, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, -0.0, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, -0.0, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, -0.0, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, 0.0, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, 0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, 0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, 0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.0, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.0, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, 0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.0, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, 0.5, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, -0.41666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, -0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, -0.25, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, -0.16666667, 0.33333333], "weight": 0.00462963}, {"abc": [-0.0, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.08333333, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.16666667, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.25, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.33333333, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.5, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.41666667, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.33333333, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.25, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.16666667, -0.08333333, 0.33333333], "weight": 0.00462963}, {"abc": [-0.08333333, -0.08333333, 0.33333333], "weight": 0.00462963}]}, "nkpoints": 218, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-2.225, -2.231, 2.227, 2.228], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 60, "NGXF": 36, "NGYF": 36, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.86115645, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.2570689086333084, 0.6735037166128072, -1.210516671603854], [-0.5452200042959671, 2.2915040994780322, -1.2103973670269539], [0.23071925496453632, 0.3996908856846048, 0.652662025387358]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -33.61044852, "e_wo_entrp": -33.61044852, "e_0_energy": 0.0, "forces": [[0.01999959, 0.03231378, 0.05371422], [-0.02040204, -0.03300599, -0.05484666], [0.01914638, 0.03089041, 0.05136833], [-0.01874393, -0.0301982, -0.05023589]], "stress": [[-2.88765566, 0.57285547, -3.03197731], [0.57285492, -2.29262729, -5.33292236], [-3.03188294, -5.33278451, -6.28083128]], "electronic_steps": [{"alphaZ": 687.12460603, "ewald": -7236.39846671, "hartreedc": -2328.89487444, "XCdc": 287.23808544, "pawpsdc": 7343.20824054, "pawaedc": -7696.26481475, "eentropy": 0.0, "bandstr": -844.0256141, "atom": 9827.56489258, "e_fr_energy": 39.55205458, "e_wo_entrp": 39.55205458, "e_0_energy": 39.55205458}, {"e_fr_energy": -38.14404715, "e_wo_entrp": -38.14404715, "e_0_energy": -38.14404715}, {"e_fr_energy": -38.28468531, "e_wo_entrp": -38.28468531, "e_0_energy": -38.28468531}, {"e_fr_energy": -38.28490532, "e_wo_entrp": -38.28490532, "e_0_energy": -38.28490532}, {"e_fr_energy": -38.28490532, "e_wo_entrp": -38.28490532, "e_0_energy": -38.28490532}, {"e_fr_energy": -34.20324722, "e_wo_entrp": -34.20324722, "e_0_energy": -34.20324722}, {"e_fr_energy": -33.65183208, "e_wo_entrp": -33.65183208, "e_0_energy": -33.65183208}, {"e_fr_energy": -33.63932449, "e_wo_entrp": -33.63932449, "e_0_energy": -33.63932449}, {"e_fr_energy": -33.61980896, "e_wo_entrp": -33.61980896, "e_0_energy": -33.61980896}, {"e_fr_energy": -33.63049862, "e_wo_entrp": -33.63049862, "e_0_energy": -33.63049862}, {"e_fr_energy": -33.60921796, "e_wo_entrp": -33.60921796, "e_0_energy": -33.60921796}, {"e_fr_energy": -33.61096918, "e_wo_entrp": -33.61096918, "e_0_energy": -33.61096918}, {"e_fr_energy": -33.61035271, "e_wo_entrp": -33.61035271, "e_0_energy": -33.61035271}, {"alphaZ": 687.12460603, "ewald": -7236.39846671, "hartreedc": -2183.96409306, "XCdc": 281.63080464, "pawpsdc": 7446.2730126, "pawaedc": -7810.62088224, "eentropy": 0.0, "bandstr": -1045.22032236, "atom": 9827.56489258, "e_fr_energy": -33.61044852, "e_wo_entrp": -33.61044852, "e_0_energy": -33.61044852}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {}}]}}], "efermi": 5.5286213, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {}}]}, "energy": -33.61044852, "energy_per_atom": -8.40261213, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.5286, "magnetization": [{"s": -0.014, "p": -0.003, "d": -2.2, "tot": -2.218}, {"s": -0.014, "p": -0.003, "d": -2.2, "tot": -2.217}, {"s": 0.014, "p": 0.003, "d": 2.2, "tot": 2.217}, {"s": 0.014, "p": 0.003, "d": 2.199, "tot": 2.216}], "charge": [{"s": 0.39, "p": 6.39, "d": 6.033, "tot": 12.814}, {"s": 0.39, "p": 6.39, "d": 6.032, "tot": 12.812}, {"s": 0.39, "p": 6.39, "d": 6.033, "tot": 12.813}, {"s": 0.39, "p": 6.39, "d": 6.033, "tot": 12.814}], "total_magnetization": -0.0012232, "nelect": 56.0000037, "is_stopped": false, "drift": [[-0.00022, -0.00038, -0.000622]], "ngf": [36, 36, 120], "sampling_radii": [0.95], "electrostatic_potential": [-45.4883, -45.4871, -45.4877, -45.4879], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-886710", "completed_at": "2020-01-24 16:12:30", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2382cedcc0e0f311352e"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2382cedcc0e0f3113531"}}], "chemsys": "Fe", "completed_at": "2020-01-24 16:12:30", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-2.225, -2.231, 2.227, 2.228], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 60, "NGXF": 36, "NGYF": 36, "NGZF": 120, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.86115645, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-2.225, -2.231, 2.227, 2.228], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:24:18.913000"}, "nelements": 1, "nsites": 4, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-2.225, -2.231, 2.227, 2.228], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 3]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.293357, 0.088731, -0.865052], [-1.069886, 2.030382, -0.865198], [2.269413, 3.930027, 6.418011]], "a": 2.452687196222543, "b": 2.4526872401763744, "c": 7.860420649139523, "alpha": 90.00418265010313, "beta": 89.99591017477424, "gamma": 104.68529188263307, "volume": 45.741043013505404}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.999963, 3.8e-05, 0.499809], "xyz": [3.42750453224, 2.0530677363120002, 2.342726789299], "label": "Fe", "properties": {"magmom": -2.218}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500037, 0.499962, 0.750186], "xyz": [2.314342870695, 4.007733863553, 3.9495778706460003], "label": "Fe", "properties": {"magmom": -2.217}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999965, 3.6e-05, 0.999873], "xyz": [4.562363001157999, 4.018328874738, 5.5521430422949996], "label": "Fe", "properties": {"magmom": 2.217}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500034, 0.499965, 0.250132], "xyz": [1.179503732664, 2.042513967048, 0.740225797614], "label": "Fe", "properties": {"magmom": 2.216}}]}, "density": 8.10937368974467, "energy": -33.61044852, "energy_per_atom": -8.40261213, "forces": [[0.01999959, 0.03231378, 0.05371422], [-0.02040204, -0.03300599, -0.05484666], [0.01914638, 0.03089041, 0.05136833], [-0.01874393, -0.0301982, -0.05023589]], "stress": [[-2.88765566, 0.57285547, -3.03197731], [0.57285492, -2.29262729, -5.33292236], [-3.03188294, -5.33278451, -6.28083128]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "I4/mmm", "number": 139, "point_group": "mmm", "crystal_system": "tetragonal", "hall": "-I 4 2"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 210472.0, "Elapsed time (sec)": 1113.737, "System time (sec)": 12.755, "User time (sec)": 1099.719, "Total CPU time used (sec)": 1112.474, "cores": "64"}, "overall": {"Total CPU time used (sec)": 1112.474, "User time (sec)": 1099.719, "System time (sec)": 12.755, "Elapsed time (sec)": 1113.737}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271068", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a11cb948a4f342aa6163c"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-688484", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 1e-08, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.258, 1.324], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 10]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.1, 0.0, 0.0], "genvec2": [-0.0, 0.1, -0.0], "genvec3": [0.0, -0.0, 0.1], "shift": [0.5, 0.5, 0.5], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.05, 0.05, 0.05], "weight": 0.002}, {"abc": [0.15, 0.05, 0.05], "weight": 0.002}, {"abc": [0.25, 0.05, 0.05], "weight": 0.002}, {"abc": [0.35, 0.05, 0.05], "weight": 0.002}, {"abc": [0.45, 0.05, 0.05], "weight": 0.002}, {"abc": [-0.45, 0.05, 0.05], "weight": 0.002}, {"abc": [-0.35, 0.05, 0.05], "weight": 0.002}, {"abc": [-0.25, 0.05, 0.05], "weight": 0.002}, {"abc": [-0.15, 0.05, 0.05], "weight": 0.002}, {"abc": [-0.05, 0.05, 0.05], "weight": 0.002}, {"abc": [0.05, 0.15, 0.05], "weight": 0.002}, {"abc": [0.15, 0.15, 0.05], "weight": 0.002}, {"abc": [0.25, 0.15, 0.05], "weight": 0.002}, {"abc": [0.35, 0.15, 0.05], "weight": 0.002}, {"abc": [0.45, 0.15, 0.05], "weight": 0.002}, {"abc": [-0.45, 0.15, 0.05], "weight": 0.002}, {"abc": [-0.35, 0.15, 0.05], "weight": 0.002}, {"abc": [-0.25, 0.15, 0.05], "weight": 0.002}, {"abc": [-0.15, 0.15, 0.05], "weight": 0.002}, {"abc": [-0.05, 0.15, 0.05], "weight": 0.002}, {"abc": [0.05, 0.25, 0.05], "weight": 0.002}, {"abc": [0.15, 0.25, 0.05], "weight": 0.002}, {"abc": [0.25, 0.25, 0.05], "weight": 0.002}, {"abc": [0.35, 0.25, 0.05], "weight": 0.002}, {"abc": [0.45, 0.25, 0.05], "weight": 0.002}, {"abc": [-0.45, 0.25, 0.05], "weight": 0.002}, {"abc": [-0.35, 0.25, 0.05], "weight": 0.002}, {"abc": [-0.25, 0.25, 0.05], "weight": 0.002}, {"abc": [-0.15, 0.25, 0.05], "weight": 0.002}, {"abc": [-0.05, 0.25, 0.05], "weight": 0.002}, {"abc": [0.05, 0.35, 0.05], "weight": 0.002}, {"abc": [0.15, 0.35, 0.05], "weight": 0.002}, {"abc": [0.25, 0.35, 0.05], "weight": 0.002}, {"abc": [0.35, 0.35, 0.05], "weight": 0.002}, {"abc": [0.45, 0.35, 0.05], "weight": 0.002}, {"abc": [-0.45, 0.35, 0.05], "weight": 0.002}, {"abc": [-0.35, 0.35, 0.05], "weight": 0.002}, {"abc": [-0.25, 0.35, 0.05], "weight": 0.002}, {"abc": [-0.15, 0.35, 0.05], "weight": 0.002}, {"abc": [-0.05, 0.35, 0.05], "weight": 0.002}, {"abc": [0.05, 0.45, 0.05], "weight": 0.002}, {"abc": [0.15, 0.45, 0.05], "weight": 0.002}, {"abc": [0.25, 0.45, 0.05], "weight": 0.002}, {"abc": [0.35, 0.45, 0.05], "weight": 0.002}, {"abc": [0.45, 0.45, 0.05], "weight": 0.002}, {"abc": [-0.45, 0.45, 0.05], "weight": 0.002}, {"abc": [-0.35, 0.45, 0.05], "weight": 0.002}, {"abc": [-0.25, 0.45, 0.05], "weight": 0.002}, {"abc": [-0.15, 0.45, 0.05], "weight": 0.002}, {"abc": [-0.05, 0.45, 0.05], "weight": 0.002}, {"abc": [0.05, -0.45, 0.05], "weight": 0.002}, {"abc": [0.15, -0.45, 0.05], "weight": 0.002}, {"abc": [0.25, -0.45, 0.05], "weight": 0.002}, {"abc": [0.35, -0.45, 0.05], "weight": 0.002}, {"abc": [0.45, -0.45, 0.05], "weight": 0.002}, {"abc": [-0.45, -0.45, 0.05], "weight": 0.002}, {"abc": [-0.35, -0.45, 0.05], "weight": 0.002}, {"abc": [-0.25, -0.45, 0.05], "weight": 0.002}, {"abc": [-0.15, -0.45, 0.05], "weight": 0.002}, {"abc": [-0.05, -0.45, 0.05], "weight": 0.002}, {"abc": [0.05, -0.35, 0.05], "weight": 0.002}, {"abc": [0.15, -0.35, 0.05], "weight": 0.002}, {"abc": [0.25, -0.35, 0.05], "weight": 0.002}, {"abc": [0.35, -0.35, 0.05], "weight": 0.002}, {"abc": [0.45, -0.35, 0.05], "weight": 0.002}, {"abc": [-0.45, -0.35, 0.05], "weight": 0.002}, {"abc": [-0.35, -0.35, 0.05], "weight": 0.002}, {"abc": [-0.25, -0.35, 0.05], "weight": 0.002}, {"abc": [-0.15, -0.35, 0.05], "weight": 0.002}, {"abc": [-0.05, -0.35, 0.05], "weight": 0.002}, {"abc": [0.05, -0.25, 0.05], "weight": 0.002}, {"abc": [0.15, -0.25, 0.05], "weight": 0.002}, {"abc": [0.25, -0.25, 0.05], "weight": 0.002}, {"abc": [0.35, -0.25, 0.05], "weight": 0.002}, {"abc": [0.45, -0.25, 0.05], "weight": 0.002}, {"abc": [-0.45, -0.25, 0.05], "weight": 0.002}, {"abc": [-0.35, -0.25, 0.05], "weight": 0.002}, {"abc": [-0.25, -0.25, 0.05], "weight": 0.002}, {"abc": [-0.15, -0.25, 0.05], "weight": 0.002}, {"abc": [-0.05, -0.25, 0.05], "weight": 0.002}, {"abc": [0.05, -0.15, 0.05], "weight": 0.002}, {"abc": [0.15, -0.15, 0.05], "weight": 0.002}, {"abc": [0.25, -0.15, 0.05], "weight": 0.002}, {"abc": [0.35, -0.15, 0.05], "weight": 0.002}, {"abc": [0.45, -0.15, 0.05], "weight": 0.002}, {"abc": [-0.45, -0.15, 0.05], "weight": 0.002}, {"abc": [-0.35, -0.15, 0.05], "weight": 0.002}, {"abc": [-0.25, -0.15, 0.05], "weight": 0.002}, {"abc": [-0.15, -0.15, 0.05], "weight": 0.002}, {"abc": [-0.05, -0.15, 0.05], "weight": 0.002}, {"abc": [0.05, -0.05, 0.05], "weight": 0.002}, {"abc": [0.15, -0.05, 0.05], "weight": 0.002}, {"abc": [0.25, -0.05, 0.05], "weight": 0.002}, {"abc": [0.35, -0.05, 0.05], "weight": 0.002}, {"abc": [0.45, -0.05, 0.05], "weight": 0.002}, {"abc": [-0.45, -0.05, 0.05], "weight": 0.002}, {"abc": [-0.35, -0.05, 0.05], "weight": 0.002}, {"abc": [-0.25, -0.05, 0.05], "weight": 0.002}, {"abc": [-0.15, -0.05, 0.05], "weight": 0.002}, {"abc": [-0.05, -0.05, 0.05], "weight": 0.002}, {"abc": [0.05, 0.05, 0.15], "weight": 0.002}, {"abc": [0.15, 0.05, 0.15], "weight": 0.002}, {"abc": [0.25, 0.05, 0.15], "weight": 0.002}, {"abc": [0.35, 0.05, 0.15], "weight": 0.002}, {"abc": [0.45, 0.05, 0.15], "weight": 0.002}, {"abc": [-0.45, 0.05, 0.15], "weight": 0.002}, {"abc": [-0.35, 0.05, 0.15], "weight": 0.002}, {"abc": [-0.25, 0.05, 0.15], "weight": 0.002}, {"abc": [-0.15, 0.05, 0.15], "weight": 0.002}, {"abc": [-0.05, 0.05, 0.15], "weight": 0.002}, {"abc": [0.05, 0.15, 0.15], "weight": 0.002}, {"abc": [0.15, 0.15, 0.15], "weight": 0.002}, {"abc": [0.25, 0.15, 0.15], "weight": 0.002}, {"abc": [0.35, 0.15, 0.15], "weight": 0.002}, {"abc": [0.45, 0.15, 0.15], "weight": 0.002}, {"abc": [-0.45, 0.15, 0.15], "weight": 0.002}, {"abc": [-0.35, 0.15, 0.15], "weight": 0.002}, {"abc": [-0.25, 0.15, 0.15], "weight": 0.002}, {"abc": [-0.15, 0.15, 0.15], "weight": 0.002}, {"abc": [-0.05, 0.15, 0.15], "weight": 0.002}, {"abc": [0.05, 0.25, 0.15], "weight": 0.002}, {"abc": [0.15, 0.25, 0.15], "weight": 0.002}, {"abc": [0.25, 0.25, 0.15], "weight": 0.002}, {"abc": [0.35, 0.25, 0.15], "weight": 0.002}, {"abc": [0.45, 0.25, 0.15], "weight": 0.002}, {"abc": [-0.45, 0.25, 0.15], "weight": 0.002}, {"abc": [-0.35, 0.25, 0.15], "weight": 0.002}, {"abc": [-0.25, 0.25, 0.15], "weight": 0.002}, {"abc": [-0.15, 0.25, 0.15], "weight": 0.002}, {"abc": [-0.05, 0.25, 0.15], "weight": 0.002}, {"abc": [0.05, 0.35, 0.15], "weight": 0.002}, {"abc": [0.15, 0.35, 0.15], "weight": 0.002}, {"abc": [0.25, 0.35, 0.15], "weight": 0.002}, {"abc": [0.35, 0.35, 0.15], "weight": 0.002}, {"abc": [0.45, 0.35, 0.15], "weight": 0.002}, {"abc": [-0.45, 0.35, 0.15], "weight": 0.002}, {"abc": [-0.35, 0.35, 0.15], "weight": 0.002}, {"abc": [-0.25, 0.35, 0.15], "weight": 0.002}, {"abc": [-0.15, 0.35, 0.15], "weight": 0.002}, {"abc": [-0.05, 0.35, 0.15], "weight": 0.002}, {"abc": [0.05, 0.45, 0.15], "weight": 0.002}, {"abc": [0.15, 0.45, 0.15], "weight": 0.002}, {"abc": [0.25, 0.45, 0.15], "weight": 0.002}, {"abc": [0.35, 0.45, 0.15], "weight": 0.002}, {"abc": [0.45, 0.45, 0.15], "weight": 0.002}, {"abc": [-0.45, 0.45, 0.15], "weight": 0.002}, {"abc": [-0.35, 0.45, 0.15], "weight": 0.002}, {"abc": [-0.25, 0.45, 0.15], "weight": 0.002}, {"abc": [-0.15, 0.45, 0.15], "weight": 0.002}, {"abc": [-0.05, 0.45, 0.15], "weight": 0.002}, {"abc": [0.05, -0.45, 0.15], "weight": 0.002}, {"abc": [0.15, -0.45, 0.15], "weight": 0.002}, {"abc": [0.25, -0.45, 0.15], "weight": 0.002}, {"abc": [0.35, -0.45, 0.15], "weight": 0.002}, {"abc": [0.45, -0.45, 0.15], "weight": 0.002}, {"abc": [-0.45, -0.45, 0.15], "weight": 0.002}, {"abc": [-0.35, -0.45, 0.15], "weight": 0.002}, {"abc": [-0.25, -0.45, 0.15], "weight": 0.002}, {"abc": [-0.15, -0.45, 0.15], "weight": 0.002}, {"abc": [-0.05, -0.45, 0.15], "weight": 0.002}, {"abc": [0.05, -0.35, 0.15], "weight": 0.002}, {"abc": [0.15, -0.35, 0.15], "weight": 0.002}, {"abc": [0.25, -0.35, 0.15], "weight": 0.002}, {"abc": [0.35, -0.35, 0.15], "weight": 0.002}, {"abc": [0.45, -0.35, 0.15], "weight": 0.002}, {"abc": [-0.45, -0.35, 0.15], "weight": 0.002}, {"abc": [-0.35, -0.35, 0.15], "weight": 0.002}, {"abc": [-0.25, -0.35, 0.15], "weight": 0.002}, {"abc": [-0.15, -0.35, 0.15], "weight": 0.002}, {"abc": [-0.05, -0.35, 0.15], "weight": 0.002}, {"abc": [0.05, -0.25, 0.15], "weight": 0.002}, {"abc": [0.15, -0.25, 0.15], "weight": 0.002}, {"abc": [0.25, -0.25, 0.15], "weight": 0.002}, {"abc": [0.35, -0.25, 0.15], "weight": 0.002}, {"abc": [0.45, -0.25, 0.15], "weight": 0.002}, {"abc": [-0.45, -0.25, 0.15], "weight": 0.002}, {"abc": [-0.35, -0.25, 0.15], "weight": 0.002}, {"abc": [-0.25, -0.25, 0.15], "weight": 0.002}, {"abc": [-0.15, -0.25, 0.15], "weight": 0.002}, {"abc": [-0.05, -0.25, 0.15], "weight": 0.002}, {"abc": [0.05, -0.15, 0.15], "weight": 0.002}, {"abc": [0.15, -0.15, 0.15], "weight": 0.002}, {"abc": [0.25, -0.15, 0.15], "weight": 0.002}, {"abc": [0.35, -0.15, 0.15], "weight": 0.002}, {"abc": [0.45, -0.15, 0.15], "weight": 0.002}, {"abc": [-0.45, -0.15, 0.15], "weight": 0.002}, {"abc": [-0.35, -0.15, 0.15], "weight": 0.002}, {"abc": [-0.25, -0.15, 0.15], "weight": 0.002}, {"abc": [-0.15, -0.15, 0.15], "weight": 0.002}, {"abc": [-0.05, -0.15, 0.15], "weight": 0.002}, {"abc": [0.05, -0.05, 0.15], "weight": 0.002}, {"abc": [0.15, -0.05, 0.15], "weight": 0.002}, {"abc": [0.25, -0.05, 0.15], "weight": 0.002}, {"abc": [0.35, -0.05, 0.15], "weight": 0.002}, {"abc": [0.45, -0.05, 0.15], "weight": 0.002}, {"abc": [-0.45, -0.05, 0.15], "weight": 0.002}, {"abc": [-0.35, -0.05, 0.15], "weight": 0.002}, {"abc": [-0.25, -0.05, 0.15], "weight": 0.002}, {"abc": [-0.15, -0.05, 0.15], "weight": 0.002}, {"abc": [-0.05, -0.05, 0.15], "weight": 0.002}, {"abc": [0.05, 0.05, 0.25], "weight": 0.002}, {"abc": [0.15, 0.05, 0.25], "weight": 0.002}, {"abc": [0.25, 0.05, 0.25], "weight": 0.002}, {"abc": [0.35, 0.05, 0.25], "weight": 0.002}, {"abc": [0.45, 0.05, 0.25], "weight": 0.002}, {"abc": [-0.45, 0.05, 0.25], "weight": 0.002}, {"abc": [-0.35, 0.05, 0.25], "weight": 0.002}, {"abc": [-0.25, 0.05, 0.25], "weight": 0.002}, {"abc": [-0.15, 0.05, 0.25], "weight": 0.002}, {"abc": [-0.05, 0.05, 0.25], "weight": 0.002}, {"abc": [0.05, 0.15, 0.25], "weight": 0.002}, {"abc": [0.15, 0.15, 0.25], "weight": 0.002}, {"abc": [0.25, 0.15, 0.25], "weight": 0.002}, {"abc": [0.35, 0.15, 0.25], "weight": 0.002}, {"abc": [0.45, 0.15, 0.25], "weight": 0.002}, {"abc": [-0.45, 0.15, 0.25], "weight": 0.002}, {"abc": [-0.35, 0.15, 0.25], "weight": 0.002}, {"abc": [-0.25, 0.15, 0.25], "weight": 0.002}, {"abc": [-0.15, 0.15, 0.25], "weight": 0.002}, {"abc": [-0.05, 0.15, 0.25], "weight": 0.002}, {"abc": [0.05, 0.25, 0.25], "weight": 0.002}, {"abc": [0.15, 0.25, 0.25], "weight": 0.002}, {"abc": [0.25, 0.25, 0.25], "weight": 0.002}, {"abc": [0.35, 0.25, 0.25], "weight": 0.002}, {"abc": [0.45, 0.25, 0.25], "weight": 0.002}, {"abc": [-0.45, 0.25, 0.25], "weight": 0.002}, {"abc": [-0.35, 0.25, 0.25], "weight": 0.002}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.002}, {"abc": [-0.15, 0.25, 0.25], "weight": 0.002}, {"abc": [-0.05, 0.25, 0.25], "weight": 0.002}, {"abc": [0.05, 0.35, 0.25], "weight": 0.002}, {"abc": [0.15, 0.35, 0.25], "weight": 0.002}, {"abc": [0.25, 0.35, 0.25], "weight": 0.002}, {"abc": [0.35, 0.35, 0.25], "weight": 0.002}, {"abc": [0.45, 0.35, 0.25], "weight": 0.002}, {"abc": [-0.45, 0.35, 0.25], "weight": 0.002}, {"abc": [-0.35, 0.35, 0.25], "weight": 0.002}, {"abc": [-0.25, 0.35, 0.25], "weight": 0.002}, {"abc": [-0.15, 0.35, 0.25], "weight": 0.002}, {"abc": [-0.05, 0.35, 0.25], "weight": 0.002}, {"abc": [0.05, 0.45, 0.25], "weight": 0.002}, {"abc": [0.15, 0.45, 0.25], "weight": 0.002}, {"abc": [0.25, 0.45, 0.25], "weight": 0.002}, {"abc": [0.35, 0.45, 0.25], "weight": 0.002}, {"abc": [0.45, 0.45, 0.25], "weight": 0.002}, {"abc": [-0.45, 0.45, 0.25], "weight": 0.002}, {"abc": [-0.35, 0.45, 0.25], "weight": 0.002}, {"abc": [-0.25, 0.45, 0.25], "weight": 0.002}, {"abc": [-0.15, 0.45, 0.25], "weight": 0.002}, {"abc": [-0.05, 0.45, 0.25], "weight": 0.002}, {"abc": [0.05, -0.45, 0.25], "weight": 0.002}, {"abc": [0.15, -0.45, 0.25], "weight": 0.002}, {"abc": [0.25, -0.45, 0.25], "weight": 0.002}, {"abc": [0.35, -0.45, 0.25], "weight": 0.002}, {"abc": [0.45, -0.45, 0.25], "weight": 0.002}, {"abc": [-0.45, -0.45, 0.25], "weight": 0.002}, {"abc": [-0.35, -0.45, 0.25], "weight": 0.002}, {"abc": [-0.25, -0.45, 0.25], "weight": 0.002}, {"abc": [-0.15, -0.45, 0.25], "weight": 0.002}, {"abc": [-0.05, -0.45, 0.25], "weight": 0.002}, {"abc": [0.05, -0.35, 0.25], "weight": 0.002}, {"abc": [0.15, -0.35, 0.25], "weight": 0.002}, {"abc": [0.25, -0.35, 0.25], "weight": 0.002}, {"abc": [0.35, -0.35, 0.25], "weight": 0.002}, {"abc": [0.45, -0.35, 0.25], "weight": 0.002}, {"abc": [-0.45, -0.35, 0.25], "weight": 0.002}, {"abc": [-0.35, -0.35, 0.25], "weight": 0.002}, {"abc": [-0.25, -0.35, 0.25], "weight": 0.002}, {"abc": [-0.15, -0.35, 0.25], "weight": 0.002}, {"abc": [-0.05, -0.35, 0.25], "weight": 0.002}, {"abc": [0.05, -0.25, 0.25], "weight": 0.002}, {"abc": [0.15, -0.25, 0.25], "weight": 0.002}, {"abc": [0.25, -0.25, 0.25], "weight": 0.002}, {"abc": [0.35, -0.25, 0.25], "weight": 0.002}, {"abc": [0.45, -0.25, 0.25], "weight": 0.002}, {"abc": [-0.45, -0.25, 0.25], "weight": 0.002}, {"abc": [-0.35, -0.25, 0.25], "weight": 0.002}, {"abc": [-0.25, -0.25, 0.25], "weight": 0.002}, {"abc": [-0.15, -0.25, 0.25], "weight": 0.002}, {"abc": [-0.05, -0.25, 0.25], "weight": 0.002}, {"abc": [0.05, -0.15, 0.25], "weight": 0.002}, {"abc": [0.15, -0.15, 0.25], "weight": 0.002}, {"abc": [0.25, -0.15, 0.25], "weight": 0.002}, {"abc": [0.35, -0.15, 0.25], "weight": 0.002}, {"abc": [0.45, -0.15, 0.25], "weight": 0.002}, {"abc": [-0.45, -0.15, 0.25], "weight": 0.002}, {"abc": [-0.35, -0.15, 0.25], "weight": 0.002}, {"abc": [-0.25, -0.15, 0.25], "weight": 0.002}, {"abc": [-0.15, -0.15, 0.25], "weight": 0.002}, {"abc": [-0.05, -0.15, 0.25], "weight": 0.002}, {"abc": [0.05, -0.05, 0.25], "weight": 0.002}, {"abc": [0.15, -0.05, 0.25], "weight": 0.002}, {"abc": [0.25, -0.05, 0.25], "weight": 0.002}, {"abc": [0.35, -0.05, 0.25], "weight": 0.002}, {"abc": [0.45, -0.05, 0.25], "weight": 0.002}, {"abc": [-0.45, -0.05, 0.25], "weight": 0.002}, {"abc": [-0.35, -0.05, 0.25], "weight": 0.002}, {"abc": [-0.25, -0.05, 0.25], "weight": 0.002}, {"abc": [-0.15, -0.05, 0.25], "weight": 0.002}, {"abc": [-0.05, -0.05, 0.25], "weight": 0.002}, {"abc": [0.05, 0.05, 0.35], "weight": 0.002}, {"abc": [0.15, 0.05, 0.35], "weight": 0.002}, {"abc": [0.25, 0.05, 0.35], "weight": 0.002}, {"abc": [0.35, 0.05, 0.35], "weight": 0.002}, {"abc": [0.45, 0.05, 0.35], "weight": 0.002}, {"abc": [-0.45, 0.05, 0.35], "weight": 0.002}, {"abc": [-0.35, 0.05, 0.35], "weight": 0.002}, {"abc": [-0.25, 0.05, 0.35], "weight": 0.002}, {"abc": [-0.15, 0.05, 0.35], "weight": 0.002}, {"abc": [-0.05, 0.05, 0.35], "weight": 0.002}, {"abc": [0.05, 0.15, 0.35], "weight": 0.002}, {"abc": [0.15, 0.15, 0.35], "weight": 0.002}, {"abc": [0.25, 0.15, 0.35], "weight": 0.002}, {"abc": [0.35, 0.15, 0.35], "weight": 0.002}, {"abc": [0.45, 0.15, 0.35], "weight": 0.002}, {"abc": [-0.45, 0.15, 0.35], "weight": 0.002}, {"abc": [-0.35, 0.15, 0.35], "weight": 0.002}, {"abc": [-0.25, 0.15, 0.35], "weight": 0.002}, {"abc": [-0.15, 0.15, 0.35], "weight": 0.002}, {"abc": [-0.05, 0.15, 0.35], "weight": 0.002}, {"abc": [0.05, 0.25, 0.35], "weight": 0.002}, {"abc": [0.15, 0.25, 0.35], "weight": 0.002}, {"abc": [0.25, 0.25, 0.35], "weight": 0.002}, {"abc": [0.35, 0.25, 0.35], "weight": 0.002}, {"abc": [0.45, 0.25, 0.35], "weight": 0.002}, {"abc": [-0.45, 0.25, 0.35], "weight": 0.002}, {"abc": [-0.35, 0.25, 0.35], "weight": 0.002}, {"abc": [-0.25, 0.25, 0.35], "weight": 0.002}, {"abc": [-0.15, 0.25, 0.35], "weight": 0.002}, {"abc": [-0.05, 0.25, 0.35], "weight": 0.002}, {"abc": [0.05, 0.35, 0.35], "weight": 0.002}, {"abc": [0.15, 0.35, 0.35], "weight": 0.002}, {"abc": [0.25, 0.35, 0.35], "weight": 0.002}, {"abc": [0.35, 0.35, 0.35], "weight": 0.002}, {"abc": [0.45, 0.35, 0.35], "weight": 0.002}, {"abc": [-0.45, 0.35, 0.35], "weight": 0.002}, {"abc": [-0.35, 0.35, 0.35], "weight": 0.002}, {"abc": [-0.25, 0.35, 0.35], "weight": 0.002}, {"abc": [-0.15, 0.35, 0.35], "weight": 0.002}, {"abc": [-0.05, 0.35, 0.35], "weight": 0.002}, {"abc": [0.05, 0.45, 0.35], "weight": 0.002}, {"abc": [0.15, 0.45, 0.35], "weight": 0.002}, {"abc": [0.25, 0.45, 0.35], "weight": 0.002}, {"abc": [0.35, 0.45, 0.35], "weight": 0.002}, {"abc": [0.45, 0.45, 0.35], "weight": 0.002}, {"abc": [-0.45, 0.45, 0.35], "weight": 0.002}, {"abc": [-0.35, 0.45, 0.35], "weight": 0.002}, {"abc": [-0.25, 0.45, 0.35], "weight": 0.002}, {"abc": [-0.15, 0.45, 0.35], "weight": 0.002}, {"abc": [-0.05, 0.45, 0.35], "weight": 0.002}, {"abc": [0.05, -0.45, 0.35], "weight": 0.002}, {"abc": [0.15, -0.45, 0.35], "weight": 0.002}, {"abc": [0.25, -0.45, 0.35], "weight": 0.002}, {"abc": [0.35, -0.45, 0.35], "weight": 0.002}, {"abc": [0.45, -0.45, 0.35], "weight": 0.002}, {"abc": [-0.45, -0.45, 0.35], "weight": 0.002}, {"abc": [-0.35, -0.45, 0.35], "weight": 0.002}, {"abc": [-0.25, -0.45, 0.35], "weight": 0.002}, {"abc": [-0.15, -0.45, 0.35], "weight": 0.002}, {"abc": [-0.05, -0.45, 0.35], "weight": 0.002}, {"abc": [0.05, -0.35, 0.35], "weight": 0.002}, {"abc": [0.15, -0.35, 0.35], "weight": 0.002}, {"abc": [0.25, -0.35, 0.35], "weight": 0.002}, {"abc": [0.35, -0.35, 0.35], "weight": 0.002}, {"abc": [0.45, -0.35, 0.35], "weight": 0.002}, {"abc": [-0.45, -0.35, 0.35], "weight": 0.002}, {"abc": [-0.35, -0.35, 0.35], "weight": 0.002}, {"abc": [-0.25, -0.35, 0.35], "weight": 0.002}, {"abc": [-0.15, -0.35, 0.35], "weight": 0.002}, {"abc": [-0.05, -0.35, 0.35], "weight": 0.002}, {"abc": [0.05, -0.25, 0.35], "weight": 0.002}, {"abc": [0.15, -0.25, 0.35], "weight": 0.002}, {"abc": [0.25, -0.25, 0.35], "weight": 0.002}, {"abc": [0.35, -0.25, 0.35], "weight": 0.002}, {"abc": [0.45, -0.25, 0.35], "weight": 0.002}, {"abc": [-0.45, -0.25, 0.35], "weight": 0.002}, {"abc": [-0.35, -0.25, 0.35], "weight": 0.002}, {"abc": [-0.25, -0.25, 0.35], "weight": 0.002}, {"abc": [-0.15, -0.25, 0.35], "weight": 0.002}, {"abc": [-0.05, -0.25, 0.35], "weight": 0.002}, {"abc": [0.05, -0.15, 0.35], "weight": 0.002}, {"abc": [0.15, -0.15, 0.35], "weight": 0.002}, {"abc": [0.25, -0.15, 0.35], "weight": 0.002}, {"abc": [0.35, -0.15, 0.35], "weight": 0.002}, {"abc": [0.45, -0.15, 0.35], "weight": 0.002}, {"abc": [-0.45, -0.15, 0.35], "weight": 0.002}, {"abc": [-0.35, -0.15, 0.35], "weight": 0.002}, {"abc": [-0.25, -0.15, 0.35], "weight": 0.002}, {"abc": [-0.15, -0.15, 0.35], "weight": 0.002}, {"abc": [-0.05, -0.15, 0.35], "weight": 0.002}, {"abc": [0.05, -0.05, 0.35], "weight": 0.002}, {"abc": [0.15, -0.05, 0.35], "weight": 0.002}, {"abc": [0.25, -0.05, 0.35], "weight": 0.002}, {"abc": [0.35, -0.05, 0.35], "weight": 0.002}, {"abc": [0.45, -0.05, 0.35], "weight": 0.002}, {"abc": [-0.45, -0.05, 0.35], "weight": 0.002}, {"abc": [-0.35, -0.05, 0.35], "weight": 0.002}, {"abc": [-0.25, -0.05, 0.35], "weight": 0.002}, {"abc": [-0.15, -0.05, 0.35], "weight": 0.002}, {"abc": [-0.05, -0.05, 0.35], "weight": 0.002}, {"abc": [0.05, 0.05, 0.45], "weight": 0.002}, {"abc": [0.15, 0.05, 0.45], "weight": 0.002}, {"abc": [0.25, 0.05, 0.45], "weight": 0.002}, {"abc": [0.35, 0.05, 0.45], "weight": 0.002}, {"abc": [0.45, 0.05, 0.45], "weight": 0.002}, {"abc": [-0.45, 0.05, 0.45], "weight": 0.002}, {"abc": [-0.35, 0.05, 0.45], "weight": 0.002}, {"abc": [-0.25, 0.05, 0.45], "weight": 0.002}, {"abc": [-0.15, 0.05, 0.45], "weight": 0.002}, {"abc": [-0.05, 0.05, 0.45], "weight": 0.002}, {"abc": [0.05, 0.15, 0.45], "weight": 0.002}, {"abc": [0.15, 0.15, 0.45], "weight": 0.002}, {"abc": [0.25, 0.15, 0.45], "weight": 0.002}, {"abc": [0.35, 0.15, 0.45], "weight": 0.002}, {"abc": [0.45, 0.15, 0.45], "weight": 0.002}, {"abc": [-0.45, 0.15, 0.45], "weight": 0.002}, {"abc": [-0.35, 0.15, 0.45], "weight": 0.002}, {"abc": [-0.25, 0.15, 0.45], "weight": 0.002}, {"abc": [-0.15, 0.15, 0.45], "weight": 0.002}, {"abc": [-0.05, 0.15, 0.45], "weight": 0.002}, {"abc": [0.05, 0.25, 0.45], "weight": 0.002}, {"abc": [0.15, 0.25, 0.45], "weight": 0.002}, {"abc": [0.25, 0.25, 0.45], "weight": 0.002}, {"abc": [0.35, 0.25, 0.45], "weight": 0.002}, {"abc": [0.45, 0.25, 0.45], "weight": 0.002}, {"abc": [-0.45, 0.25, 0.45], "weight": 0.002}, {"abc": [-0.35, 0.25, 0.45], "weight": 0.002}, {"abc": [-0.25, 0.25, 0.45], "weight": 0.002}, {"abc": [-0.15, 0.25, 0.45], "weight": 0.002}, {"abc": [-0.05, 0.25, 0.45], "weight": 0.002}, {"abc": [0.05, 0.35, 0.45], "weight": 0.002}, {"abc": [0.15, 0.35, 0.45], "weight": 0.002}, {"abc": [0.25, 0.35, 0.45], "weight": 0.002}, {"abc": [0.35, 0.35, 0.45], "weight": 0.002}, {"abc": [0.45, 0.35, 0.45], "weight": 0.002}, {"abc": [-0.45, 0.35, 0.45], "weight": 0.002}, {"abc": [-0.35, 0.35, 0.45], "weight": 0.002}, {"abc": [-0.25, 0.35, 0.45], "weight": 0.002}, {"abc": [-0.15, 0.35, 0.45], "weight": 0.002}, {"abc": [-0.05, 0.35, 0.45], "weight": 0.002}, {"abc": [0.05, 0.45, 0.45], "weight": 0.002}, {"abc": [0.15, 0.45, 0.45], "weight": 0.002}, {"abc": [0.25, 0.45, 0.45], "weight": 0.002}, {"abc": [0.35, 0.45, 0.45], "weight": 0.002}, {"abc": [0.45, 0.45, 0.45], "weight": 0.002}, {"abc": [-0.45, 0.45, 0.45], "weight": 0.002}, {"abc": [-0.35, 0.45, 0.45], "weight": 0.002}, {"abc": [-0.25, 0.45, 0.45], "weight": 0.002}, {"abc": [-0.15, 0.45, 0.45], "weight": 0.002}, {"abc": [-0.05, 0.45, 0.45], "weight": 0.002}, {"abc": [0.05, -0.45, 0.45], "weight": 0.002}, {"abc": [0.15, -0.45, 0.45], "weight": 0.002}, {"abc": [0.25, -0.45, 0.45], "weight": 0.002}, {"abc": [0.35, -0.45, 0.45], "weight": 0.002}, {"abc": [0.45, -0.45, 0.45], "weight": 0.002}, {"abc": [-0.45, -0.45, 0.45], "weight": 0.002}, {"abc": [-0.35, -0.45, 0.45], "weight": 0.002}, {"abc": [-0.25, -0.45, 0.45], "weight": 0.002}, {"abc": [-0.15, -0.45, 0.45], "weight": 0.002}, {"abc": [-0.05, -0.45, 0.45], "weight": 0.002}, {"abc": [0.05, -0.35, 0.45], "weight": 0.002}, {"abc": [0.15, -0.35, 0.45], "weight": 0.002}, {"abc": [0.25, -0.35, 0.45], "weight": 0.002}, {"abc": [0.35, -0.35, 0.45], "weight": 0.002}, {"abc": [0.45, -0.35, 0.45], "weight": 0.002}, {"abc": [-0.45, -0.35, 0.45], "weight": 0.002}, {"abc": [-0.35, -0.35, 0.45], "weight": 0.002}, {"abc": [-0.25, -0.35, 0.45], "weight": 0.002}, {"abc": [-0.15, -0.35, 0.45], "weight": 0.002}, {"abc": [-0.05, -0.35, 0.45], "weight": 0.002}, {"abc": [0.05, -0.25, 0.45], "weight": 0.002}, {"abc": [0.15, -0.25, 0.45], "weight": 0.002}, {"abc": [0.25, -0.25, 0.45], "weight": 0.002}, {"abc": [0.35, -0.25, 0.45], "weight": 0.002}, {"abc": [0.45, -0.25, 0.45], "weight": 0.002}, {"abc": [-0.45, -0.25, 0.45], "weight": 0.002}, {"abc": [-0.35, -0.25, 0.45], "weight": 0.002}, {"abc": [-0.25, -0.25, 0.45], "weight": 0.002}, {"abc": [-0.15, -0.25, 0.45], "weight": 0.002}, {"abc": [-0.05, -0.25, 0.45], "weight": 0.002}, {"abc": [0.05, -0.15, 0.45], "weight": 0.002}, {"abc": [0.15, -0.15, 0.45], "weight": 0.002}, {"abc": [0.25, -0.15, 0.45], "weight": 0.002}, {"abc": [0.35, -0.15, 0.45], "weight": 0.002}, {"abc": [0.45, -0.15, 0.45], "weight": 0.002}, {"abc": [-0.45, -0.15, 0.45], "weight": 0.002}, {"abc": [-0.35, -0.15, 0.45], "weight": 0.002}, {"abc": [-0.25, -0.15, 0.45], "weight": 0.002}, {"abc": [-0.15, -0.15, 0.45], "weight": 0.002}, {"abc": [-0.05, -0.15, 0.45], "weight": 0.002}, {"abc": [0.05, -0.05, 0.45], "weight": 0.002}, {"abc": [0.15, -0.05, 0.45], "weight": 0.002}, {"abc": [0.25, -0.05, 0.45], "weight": 0.002}, {"abc": [0.35, -0.05, 0.45], "weight": 0.002}, {"abc": [0.45, -0.05, 0.45], "weight": 0.002}, {"abc": [-0.45, -0.05, 0.45], "weight": 0.002}, {"abc": [-0.35, -0.05, 0.45], "weight": 0.002}, {"abc": [-0.25, -0.05, 0.45], "weight": 0.002}, {"abc": [-0.15, -0.05, 0.45], "weight": 0.002}, {"abc": [-0.05, -0.05, 0.45], "weight": 0.002}]}, "nkpoints": 500, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.258, 1.324], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.57689731, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[1.8329547255390384, -0.0013190218059762199, 1.2962224147070196], [-0.9176887849152419, 1.5870298445668494, 1.29632011712172], [-0.915931011207423, -1.5866250003464986, 1.2970670386284016]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.285268, 0.001646, 1.615768], [-1.141123, 1.979543, 1.615647], [-1.143314, -1.980048, 1.614716]], "a": 2.798778085337242, "b": 2.798404441567909, "c": 2.79911856582675, "alpha": 90.04474486876629, "beta": 90.05142662598557, "gamma": 89.95612770460895, "volume": 21.922991046673264}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [0.00041549999999990206, 0.0005705000000000293, 2.4230655], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.05067219, "e_wo_entrp": -16.05067219, "e_0_energy": 0.0, "forces": [[-1e-08, 0.0, -0.0], [1e-08, -0.0, 0.0]], "stress": [[2.90928367, 1.38655537, 0.16512819], [1.38655594, 3.1606332, -2.19859238], [0.16516058, -2.19858625, 3.38905597]], "electronic_steps": [{"alphaZ": 358.41136017, "ewald": -3669.90964207, "hartreedc": -1136.61411473, "XCdc": 143.32319267, "pawpsdc": 3672.20674065, "pawaedc": -3848.79186408, "eentropy": 0.0, "bandstr": -442.49891878, "atom": 4913.78244629, "e_fr_energy": -10.09079988, "e_wo_entrp": -10.09079988, "e_0_energy": -10.09079988}, {"e_fr_energy": -18.68795098, "e_wo_entrp": -18.68795098, "e_0_energy": -18.68795098}, {"e_fr_energy": -18.69039361, "e_wo_entrp": -18.69039361, "e_0_energy": -18.69039361}, {"e_fr_energy": -18.6903937, "e_wo_entrp": -18.6903937, "e_0_energy": -18.6903937}, {"e_fr_energy": -18.6903937, "e_wo_entrp": -18.6903937, "e_0_energy": -18.6903937}, {"e_fr_energy": -16.37521792, "e_wo_entrp": -16.37521792, "e_0_energy": -16.37521792}, {"e_fr_energy": -16.15237666, "e_wo_entrp": -16.15237666, "e_0_energy": -16.15237666}, {"e_fr_energy": -16.06981069, "e_wo_entrp": -16.06981069, "e_0_energy": -16.06981069}, {"e_fr_energy": -16.07081386, "e_wo_entrp": -16.07081386, "e_0_energy": -16.07081386}, {"e_fr_energy": -16.0845631, "e_wo_entrp": -16.0845631, "e_0_energy": -16.0845631}, {"e_fr_energy": -16.0541545, "e_wo_entrp": -16.0541545, "e_0_energy": -16.0541545}, {"e_fr_energy": -16.04374071, "e_wo_entrp": -16.04374071, "e_0_energy": -16.04374071}, {"e_fr_energy": -16.04989234, "e_wo_entrp": -16.04989234, "e_0_energy": -16.04989234}, {"e_fr_energy": -16.05035149, "e_wo_entrp": -16.05035149, "e_0_energy": -16.05035149}, {"e_fr_energy": -16.04969517, "e_wo_entrp": -16.04969517, "e_0_energy": -16.04969517}, {"e_fr_energy": -16.04987674, "e_wo_entrp": -16.04987674, "e_0_energy": -16.04987674}, {"e_fr_energy": -16.04998157, "e_wo_entrp": -16.04998157, "e_0_energy": -16.04998157}, {"e_fr_energy": -16.04987857, "e_wo_entrp": -16.04987857, "e_0_energy": -16.04987857}, {"e_fr_energy": -16.05012787, "e_wo_entrp": -16.05012787, "e_0_energy": -16.05012787}, {"e_fr_energy": -16.05338723, "e_wo_entrp": -16.05338723, "e_0_energy": -16.05338723}, {"e_fr_energy": -16.05333404, "e_wo_entrp": -16.05333404, "e_0_energy": -16.05333404}, {"e_fr_energy": -16.05130315, "e_wo_entrp": -16.05130315, "e_0_energy": -16.05130315}, {"e_fr_energy": -16.05045056, "e_wo_entrp": -16.05045056, "e_0_energy": -16.05045056}, {"e_fr_energy": -16.05065443, "e_wo_entrp": -16.05065443, "e_0_energy": -16.05065443}, {"alphaZ": 358.41136017, "ewald": -3669.90964207, "hartreedc": -1064.05735512, "XCdc": 140.29275767, "pawpsdc": 3750.31926887, "pawaedc": -3931.60509077, "eentropy": 0.0, "bandstr": -513.28441723, "atom": 4913.78244629, "e_fr_energy": -16.05067219, "e_wo_entrp": -16.05067219, "e_0_energy": -16.05067219}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.285268, 0.001646, 1.615768], [-1.141123, 1.979543, 1.615647], [-1.143314, -1.980048, 1.614716]], "a": 2.798778085337242, "b": 2.798404441567909, "c": 2.79911856582675, "alpha": 90.04474486876629, "beta": 90.05142662598557, "gamma": 89.95612770460895, "volume": 21.922991046673264}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [0.00041549999999990206, 0.0005705000000000293, 2.4230655], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}], "efermi": 5.8101702, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.285268, 0.001646, 1.615768], [-1.141123, 1.979543, 1.615647], [-1.143314, -1.980048, 1.614716]], "a": 2.798778085337242, "b": 2.798404441567909, "c": 2.79911856582675, "alpha": 90.04474486876629, "beta": 90.05142662598557, "gamma": 89.95612770460895, "volume": 21.922991046673264}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [0.00041549999999990206, 0.0005705000000000293, 2.4230655], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "energy": -16.05067219, "energy_per_atom": -8.025336095, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8102, "magnetization": [{"s": -0.016, "p": -0.021, "d": -1.141, "tot": -1.177}, {"s": 0.016, "p": 0.021, "d": 1.356, "tot": 1.393}], "charge": [{"s": 0.398, "p": 6.41, "d": 6.084, "tot": 12.891}, {"s": 0.399, "p": 6.411, "d": 6.069, "tot": 12.878}], "total_magnetization": 0.154456, "nelect": 28.0000039, "is_stopped": false, "drift": [[-0.0, 0.0, -0.0]], "ngf": [48, 48, 48], "sampling_radii": [0.95], "electrostatic_potential": [-45.2196, -45.2347], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-688484", "completed_at": "2020-01-24 16:57:00", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a240fcedcc0e0f311362c"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a240fcedcc0e0f311362f"}}], "chemsys": "Fe", "completed_at": "2020-01-24 16:57:00", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.285268, 0.001646, 1.615768], [-1.141123, 1.979543, 1.615647], [-1.143314, -1.980048, 1.614716]], "a": 2.798778085337242, "b": 2.798404441567909, "c": 2.79911856582675, "alpha": 90.04474486876629, "beta": 90.05142662598557, "gamma": 89.95612770460895, "volume": 21.922991046673264}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [0.00041549999999990206, 0.0005705000000000293, 2.4230655], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.258, 1.324], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.57689731, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.258, 1.324], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:26:39.186000"}, "nelements": 1, "nsites": 2, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-1.258, 1.324], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.285268, 0.001646, 1.615768], [-1.141123, 1.979543, 1.615647], [-1.143314, -1.980048, 1.614716]], "a": 2.798778085337242, "b": 2.798404441567909, "c": 2.79911856582675, "alpha": 90.04474486876629, "beta": 90.05142662598557, "gamma": 89.95612770460895, "volume": 21.922991046673264}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [0.00041549999999990206, 0.0005705000000000293, 2.4230655], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 1.0, 0.0], "xyz": [-1.141123, 1.979543, 1.615647], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.285268, 0.001646, 1.615768], [-1.141123, 1.979543, 1.615647], [-1.143314, -1.980048, 1.614716]], "a": 2.798778085337242, "b": 2.798404441567909, "c": 2.79911856582675, "alpha": 90.04474486876629, "beta": 90.05142662598557, "gamma": 89.95612770460895, "volume": 21.922991046673264}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [0.00041549999999990206, 0.0005705000000000293, 2.4230655], "label": "Fe", "properties": {"magmom": -1.177}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.393}}]}, "density": 8.459867769993169, "energy": -16.05067219, "energy_per_atom": -8.025336095, "forces": [[-1e-08, 0.0, -0.0], [1e-08, -0.0, 0.0]], "stress": [[2.90928367, 1.38655537, 0.16512819], [1.38655594, 3.1606332, -2.19859238], [0.16516058, -2.19858625, 3.38905597]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 210196.0, "Elapsed time (sec)": 3783.752, "System time (sec)": 29.007, "User time (sec)": 3753.649, "Total CPU time used (sec)": 3782.655, "cores": "64"}, "overall": {"Total CPU time used (sec)": 3782.655, "User time (sec)": 3753.649, "System time (sec)": 29.007, "Elapsed time (sec)": 3783.752}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271110", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a10fd948a4f342aa60412"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-26-20-40-58-376134/launcher_2020-01-26-22-50-04-871108", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.011555525062285141, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 4, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.33, -1.326, 1.332, 1.325], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[8, 7, 8]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.125, 0.0, -0.0], "genvec2": [-0.0, 0.14285714, 0.0], "genvec3": [0.0, -0.0, 0.125], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00223214}, {"abc": [0.125, 0.0, -0.0], "weight": 0.00446429}, {"abc": [0.25, 0.0, -0.0], "weight": 0.00446429}, {"abc": [0.375, -0.0, 0.0], "weight": 0.00446429}, {"abc": [0.5, 0.0, -0.0], "weight": 0.00223214}, {"abc": [-0.0, 0.14285714, -0.0], "weight": 0.00446429}, {"abc": [0.125, 0.14285714, -0.0], "weight": 0.00446429}, {"abc": [0.25, 0.14285714, -0.0], "weight": 0.00446429}, {"abc": [0.375, 0.14285714, -0.0], "weight": 0.00446429}, {"abc": [0.5, 0.14285714, -0.0], "weight": 0.00446429}, {"abc": [-0.375, 0.14285714, -0.0], "weight": 0.00446429}, {"abc": [-0.25, 0.14285714, -0.0], "weight": 0.00446429}, {"abc": [-0.125, 0.14285714, 0.0], "weight": 0.00446429}, {"abc": [-0.0, 0.28571429, -0.0], "weight": 0.00446429}, {"abc": [0.125, 0.28571429, -0.0], "weight": 0.00446429}, {"abc": [0.25, 0.28571429, 0.0], "weight": 0.00446429}, {"abc": [0.375, 0.28571429, -0.0], "weight": 0.00446429}, {"abc": [0.5, 0.28571429, -0.0], "weight": 0.00446429}, {"abc": [-0.375, 0.28571429, 0.0], "weight": 0.00446429}, {"abc": [-0.25, 0.28571429, -0.0], "weight": 0.00446429}, {"abc": [-0.125, 0.28571429, 0.0], "weight": 0.00446429}, {"abc": [-0.0, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [0.125, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [0.25, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [0.375, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [0.5, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [-0.375, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [-0.25, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [-0.125, 0.42857143, -0.0], "weight": 0.00446429}, {"abc": [0.0, 0.0, 0.125], "weight": 0.00446429}, {"abc": [0.125, 0.0, 0.125], "weight": 0.00446429}, {"abc": [0.25, 0.0, 0.125], "weight": 0.00446429}, {"abc": [0.375, 0.0, 0.125], "weight": 0.00446429}, {"abc": [0.5, 0.0, 0.125], "weight": 0.00446429}, {"abc": [-0.375, -0.0, 0.125], "weight": 0.00446429}, {"abc": [-0.25, 0.0, 0.125], "weight": 0.00446429}, {"abc": [-0.125, -0.0, 0.125], "weight": 0.00446429}, {"abc": [-0.0, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.125, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.25, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.375, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.5, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [-0.375, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [-0.25, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [-0.125, 0.14285714, 0.125], "weight": 0.00446429}, {"abc": [-0.0, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.125, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.25, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.375, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.5, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.375, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.25, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.125, 0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.0, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.125, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.25, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.375, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.5, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [-0.375, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [-0.25, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [-0.125, 0.42857143, 0.125], "weight": 0.00446429}, {"abc": [-0.0, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.125, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.25, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.375, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.5, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [-0.375, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [-0.25, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [-0.125, -0.42857143, 0.125], "weight": 0.00446429}, {"abc": [0.0, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.125, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.25, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.375, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [0.5, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.375, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.25, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.125, -0.28571429, 0.125], "weight": 0.00446429}, {"abc": [-0.0, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.125, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.25, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.375, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.5, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [-0.375, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [-0.25, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [-0.125, -0.14285714, 0.125], "weight": 0.00446429}, {"abc": [0.0, 0.0, 0.25], "weight": 0.00446429}, {"abc": [0.125, -0.0, 0.25], "weight": 0.00446429}, {"abc": [0.25, 0.0, 0.25], "weight": 0.00446429}, {"abc": [0.375, 0.0, 0.25], "weight": 0.00446429}, {"abc": [0.5, 0.0, 0.25], "weight": 0.00446429}, {"abc": [-0.375, 0.0, 0.25], "weight": 0.00446429}, {"abc": [-0.25, -0.0, 0.25], "weight": 0.00446429}, {"abc": [-0.125, -0.0, 0.25], "weight": 0.00446429}, {"abc": [0.0, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.125, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.25, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.375, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.5, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [-0.375, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [-0.25, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [-0.125, 0.14285714, 0.25], "weight": 0.00446429}, {"abc": [-0.0, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.125, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.25, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.375, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.5, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [-0.375, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [-0.25, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [-0.125, 0.28571429, 0.25], "weight": 0.00446429}, {"abc": [-0.0, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.125, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.25, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.375, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.5, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [-0.375, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [-0.25, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [-0.125, 0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.0, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.125, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.25, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.375, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.5, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [-0.375, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [-0.25, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [-0.125, -0.42857143, 0.25], "weight": 0.00446429}, {"abc": [0.0, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.125, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.25, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.375, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.5, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [-0.375, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [-0.25, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [-0.125, -0.28571429, 0.25], "weight": 0.00446429}, {"abc": [0.0, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.125, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.25, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.375, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.5, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [-0.375, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [-0.25, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [-0.125, -0.14285714, 0.25], "weight": 0.00446429}, {"abc": [0.0, 0.0, 0.375], "weight": 0.00446429}, {"abc": [0.125, -0.0, 0.375], "weight": 0.00446429}, {"abc": [0.25, 0.0, 0.375], "weight": 0.00446429}, {"abc": [0.375, 0.0, 0.375], "weight": 0.00446429}, {"abc": [0.5, 0.0, 0.375], "weight": 0.00446429}, {"abc": [-0.375, 0.0, 0.375], "weight": 0.00446429}, {"abc": [-0.25, 0.0, 0.375], "weight": 0.00446429}, {"abc": [-0.125, 0.0, 0.375], "weight": 0.00446429}, {"abc": [0.0, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.125, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.25, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.375, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.5, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [-0.375, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [-0.25, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [-0.125, 0.14285714, 0.375], "weight": 0.00446429}, {"abc": [-0.0, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.125, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.25, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.375, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.5, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [-0.375, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [-0.25, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [-0.125, 0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.0, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.125, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.25, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.375, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.5, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [-0.375, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [-0.25, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [-0.125, 0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.0, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.125, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.25, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.375, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.5, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [-0.375, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [-0.25, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [-0.125, -0.42857143, 0.375], "weight": 0.00446429}, {"abc": [0.0, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.125, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.25, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.375, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.5, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [-0.375, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [-0.25, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [-0.125, -0.28571429, 0.375], "weight": 0.00446429}, {"abc": [0.0, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.125, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.25, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.375, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.5, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [-0.375, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [-0.25, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [-0.125, -0.14285714, 0.375], "weight": 0.00446429}, {"abc": [0.0, 0.0, 0.5], "weight": 0.00223214}, {"abc": [0.125, -0.0, 0.5], "weight": 0.00446429}, {"abc": [0.25, -0.0, 0.5], "weight": 0.00446429}, {"abc": [0.375, -0.0, 0.5], "weight": 0.00446429}, {"abc": [0.5, 0.0, 0.5], "weight": 0.00223214}, {"abc": [0.0, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [0.125, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [0.25, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [0.375, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [0.5, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [-0.375, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [-0.25, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [-0.125, 0.14285714, 0.5], "weight": 0.00446429}, {"abc": [-0.0, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [0.125, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [0.25, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [0.375, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [0.5, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [-0.375, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [-0.25, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [-0.125, 0.28571429, 0.5], "weight": 0.00446429}, {"abc": [-0.0, 0.42857143, 0.5], "weight": 0.00446429}, {"abc": [0.125, 0.42857143, 0.5], "weight": 0.00446429}, {"abc": [0.25, 0.42857143, 0.5], "weight": 0.00446429}, {"abc": [0.375, 0.42857143, 0.5], "weight": 0.00446429}, {"abc": [0.5, 0.42857143, 0.5], "weight": 0.00446429}, {"abc": [-0.375, 0.42857143, 0.5], "weight": 0.00446429}, {"abc": [-0.25, 0.42857143, 0.5], "weight": 0.00446429}, {"abc": [-0.125, 0.42857143, 0.5], "weight": 0.00446429}]}, "nkpoints": 226, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.33, -1.326, 1.332, 1.325], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 28, "NGY": 32, "NGZ": 28, "NGXF": 56, "NGYF": 64, "NGZF": 56, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.41119592, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[0.8985789711889501, 0.0008529174018236105, 1.7768885015355453], [-1.0771786361754003, -0.0024430150675118683, 1.5239737988884918], [-0.5389621918399476, -1.7687381817111454, 0.7646401287901892]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.916272, 0.002479, 2.06129], [-3.403313, 1.780705, 1.720213], [0.006107, -3.554813, -0.001382]], "a": 3.5712133774846055, "b": 4.20863189627734, "c": 3.55481851440295, "alpha": 115.12884520813638, "beta": 89.97224987953841, "gamma": 115.09591556884658, "volume": 42.74130616515441}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.250085, 0.500268, 0.750145], "xyz": [-0.968671569249, -1.7751755082299996, 1.375028526344], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.499906, 0.999713, 0.49985], "xyz": [-1.9414217947869996, 0.004559926589000174, 2.749479744909], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999907, 0.99973, 0.999855], "xyz": [-0.4802872043009999, -1.771594573012, 3.77946504291], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750102, 0.500288, 0.25015], "xyz": [0.48639247165000066, 0.0034883739479999454, 2.406433965624], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -33.3373785, "e_wo_entrp": -33.3373785, "e_0_energy": 0.0, "forces": [[0.01058905, -0.00108385, -0.00103221], [-0.01141725, 0.00132651, 0.00119035], [-0.01047301, 0.00105749, 0.00114357], [0.01130121, -0.00130016, -0.00130171]], "stress": [[-3.15766869, 3.38166686, -3.22585724], [3.38166623, 2.26596472, -3.23982826], [-3.22491463, -3.23982034, -3.83714502]], "electronic_steps": [{"alphaZ": 735.34945419, "ewald": -7401.79500921, "hartreedc": -2241.04500366, "XCdc": 287.0950714, "pawpsdc": 7344.37825178, "pawaedc": -7697.54518235, "eentropy": 0.0, "bandstr": -820.4597573, "atom": 9827.56489258, "e_fr_energy": 33.54271743, "e_wo_entrp": 33.54271743, "e_0_energy": 33.54271743}, {"e_fr_energy": -38.94922071, "e_wo_entrp": -38.94922071, "e_0_energy": -38.94922071}, {"e_fr_energy": -39.07629658, "e_wo_entrp": -39.07629658, "e_0_energy": -39.07629658}, {"e_fr_energy": -39.07646977, "e_wo_entrp": -39.07646977, "e_0_energy": -39.07646977}, {"e_fr_energy": -39.07646977, "e_wo_entrp": -39.07646977, "e_0_energy": -39.07646977}, {"e_fr_energy": -34.06417386, "e_wo_entrp": -34.06417386, "e_0_energy": -34.06417386}, {"e_fr_energy": -33.37398474, "e_wo_entrp": -33.37398474, "e_0_energy": -33.37398474}, {"e_fr_energy": -33.44400317, "e_wo_entrp": -33.44400317, "e_0_energy": -33.44400317}, {"e_fr_energy": -33.33340837, "e_wo_entrp": -33.33340837, "e_0_energy": -33.33340837}, {"e_fr_energy": -33.34209522, "e_wo_entrp": -33.34209522, "e_0_energy": -33.34209522}, {"e_fr_energy": -33.33753045, "e_wo_entrp": -33.33753045, "e_0_energy": -33.33753045}, {"e_fr_energy": -33.33842572, "e_wo_entrp": -33.33842572, "e_0_energy": -33.33842572}, {"e_fr_energy": -33.33733049, "e_wo_entrp": -33.33733049, "e_0_energy": -33.33733049}, {"alphaZ": 735.34945419, "ewald": -7401.79500921, "hartreedc": -2091.44675248, "XCdc": 280.81572046, "pawpsdc": 7522.386322, "pawaedc": -7885.02020333, "eentropy": 0.0, "bandstr": -1021.19180271, "atom": 9827.56489258, "e_fr_energy": -33.3373785, "e_wo_entrp": -33.3373785, "e_0_energy": -33.3373785}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.916272, 0.002479, 2.06129], [-3.403313, 1.780705, 1.720213], [0.006107, -3.554813, -0.001382]], "a": 3.5712133774846055, "b": 4.20863189627734, "c": 3.55481851440295, "alpha": 115.12884520813638, "beta": 89.97224987953841, "gamma": 115.09591556884658, "volume": 42.74130616515441}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.250085, 0.500268, 0.750145], "xyz": [-0.968671569249, -1.7751755082299996, 1.375028526344], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.499906, 0.999713, 0.49985], "xyz": [-1.9414217947869996, 0.004559926589000174, 2.749479744909], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999907, 0.99973, 0.999855], "xyz": [-0.4802872043009999, -1.771594573012, 3.77946504291], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750102, 0.500288, 0.25015], "xyz": [0.48639247165000066, 0.0034883739479999454, 2.406433965624], "label": "Fe", "properties": {}}]}}], "efermi": 5.95559256, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.916272, 0.002479, 2.06129], [-3.403313, 1.780705, 1.720213], [0.006107, -3.554813, -0.001382]], "a": 3.5712133774846055, "b": 4.20863189627734, "c": 3.55481851440295, "alpha": 115.12884520813638, "beta": 89.97224987953841, "gamma": 115.09591556884658, "volume": 42.74130616515441}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.250085, 0.500268, 0.750145], "xyz": [-0.968671569249, -1.7751755082299996, 1.375028526344], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.499906, 0.999713, 0.49985], "xyz": [-1.9414217947869996, 0.004559926589000174, 2.749479744909], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999907, 0.99973, 0.999855], "xyz": [-0.4802872043009999, -1.771594573012, 3.77946504291], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750102, 0.500288, 0.25015], "xyz": [0.48639247165000066, 0.0034883739479999454, 2.406433965624], "label": "Fe", "properties": {}}]}, "energy": -33.3373785, "energy_per_atom": -8.334344625, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9556, "magnetization": [{"s": -0.015, "p": -0.018, "d": -1.313, "tot": -1.347}, {"s": -0.015, "p": -0.017, "d": -1.29, "tot": -1.322}, {"s": 0.015, "p": 0.018, "d": 1.311, "tot": 1.344}, {"s": 0.015, "p": 0.017, "d": 1.291, "tot": 1.323}], "charge": [{"s": 0.412, "p": 6.434, "d": 6.076, "tot": 12.922}, {"s": 0.412, "p": 6.434, "d": 6.078, "tot": 12.924}, {"s": 0.412, "p": 6.434, "d": 6.075, "tot": 12.922}, {"s": 0.412, "p": 6.434, "d": 6.078, "tot": 12.924}], "total_magnetization": -0.0019477, "nelect": 55.9999999, "is_stopped": false, "drift": [[2e-06, 1e-06, -1e-05]], "ngf": [56, 64, 56], "sampling_radii": [0.95], "electrostatic_potential": [-45.1119, -45.1086, -45.1113, -45.1091], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-26-20-40-58-376134/launcher_2020-01-26-22-50-04-871108", "completed_at": "2020-01-26 15:12:15", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a244bcedcc0e0f3113699"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a244bcedcc0e0f311369c"}}], "chemsys": "Fe", "completed_at": "2020-01-26 15:12:15", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.916272, 0.002479, 2.06129], [-3.403313, 1.780705, 1.720213], [0.006107, -3.554813, -0.001382]], "a": 3.5712133774846055, "b": 4.20863189627734, "c": 3.55481851440295, "alpha": 115.12884520813638, "beta": 89.97224987953841, "gamma": 115.09591556884658, "volume": 42.74130616515441}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.250085, 0.500268, 0.750145], "xyz": [-0.968671569249, -1.7751755082299996, 1.375028526344], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.499906, 0.999713, 0.49985], "xyz": [-1.9414217947869996, 0.004559926589000174, 2.749479744909], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999907, 0.99973, 0.999855], "xyz": [-0.4802872043009999, -1.771594573012, 3.77946504291], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750102, 0.500288, 0.25015], "xyz": [0.48639247165000066, 0.0034883739479999454, 2.406433965624], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.33, -1.326, 1.332, 1.325], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 28, "NGY": 32, "NGZ": 28, "NGXF": 56, "NGYF": 64, "NGZF": 56, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.41119592, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.33, -1.326, 1.332, 1.325], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:27:39.113000"}, "nelements": 1, "nsites": 4, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-1.33, -1.326, 1.332, 1.325], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.916272, 0.002479, 2.06129], [-3.403313, 1.780705, 1.720213], [0.006107, -3.554813, -0.001382]], "a": 3.5712133774846055, "b": 4.20863189627734, "c": 3.55481851440295, "alpha": 115.12884520813638, "beta": 89.97224987953841, "gamma": 115.09591556884658, "volume": 42.74130616515441}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.250085, 0.500268, 0.750145], "xyz": [-0.968671569249, -1.7751755082299996, 1.375028526344], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.499906, 0.999713, 0.49985], "xyz": [-1.9414217947869996, 0.004559926589000174, 2.749479744909], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999907, 0.99973, -0.000145], "xyz": [-0.4863942043009999, 1.783218426988, 3.78084704291], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750102, 0.500288, 0.25015], "xyz": [0.48639247165000066, 0.0034883739479999454, 2.406433965624], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[8, 7, 8]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.916272, 0.002479, 2.06129], [-3.403313, 1.780705, 1.720213], [0.006107, -3.554813, -0.001382]], "a": 3.5712133774846055, "b": 4.20863189627734, "c": 3.55481851440295, "alpha": 115.12884520813638, "beta": 89.97224987953841, "gamma": 115.09591556884658, "volume": 42.74130616515441}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.250085, 0.500268, 0.750145], "xyz": [-0.968671569249, -1.7751755082299996, 1.375028526344], "label": "Fe", "properties": {"magmom": -1.347}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.499906, 0.999713, 0.49985], "xyz": [-1.9414217947869996, 0.004559926589000174, 2.749479744909], "label": "Fe", "properties": {"magmom": -1.322}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999907, 0.99973, 0.999855], "xyz": [-0.4802872043009999, -1.771594573012, 3.77946504291], "label": "Fe", "properties": {"magmom": 1.344}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750102, 0.500288, 0.25015], "xyz": [0.48639247165000066, 0.0034883739479999454, 2.406433965624], "label": "Fe", "properties": {"magmom": 1.323}}]}, "density": 8.6785183710087, "energy": -33.3373785, "energy_per_atom": -8.334344625, "forces": [[0.01058905, -0.00108385, -0.00103221], [-0.01141725, 0.00132651, 0.00119035], [-0.01047301, 0.00105749, 0.00114357], [0.01130121, -0.00130016, -0.00130171]], "stress": [[-3.15766869, 3.38166686, -3.22585724], [3.38166623, 2.26596472, -3.23982826], [-3.22491463, -3.23982034, -3.83714502]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "I4/mmm", "number": 139, "point_group": "4/mmm", "crystal_system": "tetragonal", "hall": "-I 4 2"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 207920.0, "Elapsed time (sec)": 1315.976, "System time (sec)": 14.763, "User time (sec)": 1293.654, "Total CPU time used (sec)": 1308.418, "cores": "64"}, "overall": {"Total CPU time used (sec)": 1308.418, "User time (sec)": 1293.654, "System time (sec)": 14.763, "Elapsed time (sec)": 1315.976}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271128", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a11cb948a4f342aa6165e"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-25-03-22-55-350474/launcher_2020-01-25-03-24-08-426248", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [2.217], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, -0.0, -0.0], "genvec2": [0.0, 0.08333333, 0.0], "genvec3": [0.0, 0.0, 0.08333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, -0.0, -0.0], "weight": 0.00115741}, {"abc": [0.16666667, -0.0, -0.0], "weight": 0.00115741}, {"abc": [0.25, -0.0, -0.0], "weight": 0.00115741}, {"abc": [0.33333333, -0.0, -0.0], "weight": 0.00115741}, {"abc": [0.41666667, -0.0, 0.0], "weight": 0.00115741}, {"abc": [0.5, -0.0, -0.0], "weight": 0.0005787}, {"abc": [0.0, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [0.08333333, 0.08333333, 0.0], "weight": 0.00115741}, {"abc": [0.16666667, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [0.25, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [0.33333333, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [0.41666667, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [0.5, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [-0.41666667, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [-0.33333333, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [-0.25, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [-0.16666667, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [-0.08333333, 0.08333333, -0.0], "weight": 0.00115741}, {"abc": [0.0, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [0.08333333, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [0.16666667, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [0.25, 0.16666667, 0.0], "weight": 0.00115741}, {"abc": [0.33333333, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [0.41666667, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [0.5, 0.16666667, 0.0], "weight": 0.00115741}, {"abc": [-0.41666667, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [-0.33333333, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [-0.25, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [-0.16666667, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [-0.08333333, 0.16666667, -0.0], "weight": 0.00115741}, {"abc": [0.0, 0.25, 0.0], "weight": 0.00115741}, {"abc": [0.08333333, 0.25, 0.0], "weight": 0.00115741}, {"abc": [0.16666667, 0.25, -0.0], "weight": 0.00115741}, {"abc": [0.25, 0.25, -0.0], "weight": 0.00115741}, {"abc": [0.33333333, 0.25, 0.0], "weight": 0.00115741}, {"abc": [0.41666667, 0.25, 0.0], "weight": 0.00115741}, {"abc": [0.5, 0.25, -0.0], "weight": 0.00115741}, {"abc": [-0.41666667, 0.25, 0.0], "weight": 0.00115741}, {"abc": [-0.33333333, 0.25, 0.0], "weight": 0.00115741}, {"abc": [-0.25, 0.25, -0.0], "weight": 0.00115741}, {"abc": [-0.16666667, 0.25, 0.0], "weight": 0.00115741}, {"abc": [-0.08333333, 0.25, 0.0], "weight": 0.00115741}, {"abc": [0.0, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [0.08333333, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [0.16666667, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [0.25, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [0.33333333, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [0.41666667, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [0.5, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [-0.41666667, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [-0.33333333, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [-0.25, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [-0.16666667, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [-0.08333333, 0.33333333, -0.0], "weight": 0.00115741}, {"abc": [0.0, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [0.08333333, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [0.16666667, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [0.25, 0.41666667, 0.0], "weight": 0.00115741}, {"abc": [0.33333333, 0.41666667, 0.0], "weight": 0.00115741}, {"abc": [0.41666667, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [0.5, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [-0.41666667, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [-0.33333333, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [-0.25, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [-0.16666667, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [-0.08333333, 0.41666667, -0.0], "weight": 0.00115741}, {"abc": [0.0, 0.5, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, 0.5, -0.0], "weight": 0.00115741}, {"abc": [0.16666667, 0.5, -0.0], "weight": 0.00115741}, {"abc": [0.25, 0.5, -0.0], "weight": 0.00115741}, {"abc": [0.33333333, 0.5, 0.0], "weight": 0.00115741}, {"abc": [0.41666667, 0.5, 0.0], "weight": 0.00115741}, {"abc": [0.5, 0.5, -0.0], "weight": 0.0005787}, {"abc": [0.0, -0.0, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.0, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.0, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, -0.0, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.0, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.0, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, -0.0, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.0, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.0, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, 0.0, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.0, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.0, 0.08333333], "weight": 0.00115741}, {"abc": [-0.0, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.0, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.0, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.0, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.0, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.0, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.5, 0.08333333], "weight": 0.00115741}, {"abc": [-0.0, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.41666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.0, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.33333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.0, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.25, 0.08333333], "weight": 0.00115741}, {"abc": [-0.0, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.16666667, 0.08333333], "weight": 0.00115741}, {"abc": [0.0, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.25, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.5, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.25, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.08333333, 0.08333333], "weight": 0.00115741}, {"abc": [0.0, -0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, -0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, -0.0, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.0, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.0, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, 0.0, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.0, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.0, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.5, 0.16666667], "weight": 0.00115741}, {"abc": [0.0, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.41666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.33333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.0, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.25, 0.16666667], "weight": 0.00115741}, {"abc": [0.0, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.16666667, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.25, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [0.5, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.25, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.08333333, 0.16666667], "weight": 0.00115741}, {"abc": [-0.0, -0.0, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, -0.0, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, -0.0, 0.25], "weight": 0.00115741}, {"abc": [0.25, -0.0, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, -0.0, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, -0.0, 0.25], "weight": 0.00115741}, {"abc": [0.5, -0.0, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, 0.0, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, 0.0, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.0, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, -0.0, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, -0.0, 0.25], "weight": 0.00115741}, {"abc": [-0.0, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.25, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.5, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, 0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.0, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.25, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.5, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, 0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.0, 0.25, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, 0.25, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, 0.25, 0.25], "weight": 0.00115741}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, 0.25, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, 0.25, 0.25], "weight": 0.00115741}, {"abc": [0.5, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.0, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.25, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.5, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, 0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.0, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.25, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.5, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, 0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.0, 0.5, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, 0.5, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, 0.5, 0.25], "weight": 0.00115741}, {"abc": [0.25, 0.5, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, 0.5, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, 0.5, 0.25], "weight": 0.00115741}, {"abc": [0.5, 0.5, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, 0.5, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, 0.5, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.5, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, 0.5, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, 0.5, 0.25], "weight": 0.00115741}, {"abc": [-0.0, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.25, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.5, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.25, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, -0.41666667, 0.25], "weight": 0.00115741}, {"abc": [0.0, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.25, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [0.5, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.25, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, -0.33333333, 0.25], "weight": 0.00115741}, {"abc": [-0.0, -0.25, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, -0.25, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, -0.25, 0.25], "weight": 0.00115741}, {"abc": [0.25, -0.25, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, -0.25, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, -0.25, 0.25], "weight": 0.00115741}, {"abc": [0.5, -0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, -0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, -0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.25, -0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, -0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, -0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.0, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.25, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.5, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.25, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, -0.16666667, 0.25], "weight": 0.00115741}, {"abc": [0.0, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.16666667, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.25, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.33333333, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.41666667, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [0.5, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.41666667, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.33333333, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.25, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.16666667, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.08333333, -0.08333333, 0.25], "weight": 0.00115741}, {"abc": [-0.0, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.0, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.0, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.0, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.0, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, 0.5, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.41666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.33333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.0, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.25, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.16666667, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.16666667, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.25, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.33333333, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.41666667, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [0.5, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.41666667, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.33333333, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.25, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.16666667, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.08333333, -0.08333333, 0.33333333], "weight": 0.00115741}, {"abc": [-0.0, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.0, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.0, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.0, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.0, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.0, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.0, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, 0.5, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.41666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.33333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.0, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.25, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.16666667, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.16666667, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.25, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.33333333, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.41666667, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [0.5, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.41666667, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.33333333, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.25, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.16666667, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.08333333, -0.08333333, 0.41666667], "weight": 0.00115741}, {"abc": [-0.0, -0.0, 0.5], "weight": 0.0005787}, {"abc": [0.08333333, -0.0, 0.5], "weight": 0.00115741}, {"abc": [0.16666667, -0.0, 0.5], "weight": 0.00115741}, {"abc": [0.25, -0.0, 0.5], "weight": 0.00115741}, {"abc": [0.33333333, -0.0, 0.5], "weight": 0.00115741}, {"abc": [0.41666667, -0.0, 0.5], "weight": 0.00115741}, {"abc": [0.5, -0.0, 0.5], "weight": 0.0005787}, {"abc": [-0.0, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [0.08333333, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [0.16666667, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [0.25, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [0.33333333, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [0.41666667, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [0.5, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [-0.41666667, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [-0.33333333, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [-0.25, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [-0.16666667, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [-0.08333333, 0.08333333, 0.5], "weight": 0.00115741}, {"abc": [-0.0, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [0.08333333, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [0.16666667, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [0.25, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [0.33333333, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [0.41666667, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [0.5, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [-0.41666667, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [-0.33333333, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [-0.25, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [-0.16666667, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [-0.08333333, 0.16666667, 0.5], "weight": 0.00115741}, {"abc": [-0.0, 0.25, 0.5], "weight": 0.00115741}, {"abc": [0.08333333, 0.25, 0.5], "weight": 0.00115741}, {"abc": [0.16666667, 0.25, 0.5], "weight": 0.00115741}, {"abc": [0.25, 0.25, 0.5], "weight": 0.00115741}, {"abc": [0.33333333, 0.25, 0.5], "weight": 0.00115741}, {"abc": [0.41666667, 0.25, 0.5], "weight": 0.00115741}, {"abc": [0.5, 0.25, 0.5], "weight": 0.00115741}, {"abc": [-0.41666667, 0.25, 0.5], "weight": 0.00115741}, {"abc": [-0.33333333, 0.25, 0.5], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.5], "weight": 0.00115741}, {"abc": [-0.16666667, 0.25, 0.5], "weight": 0.00115741}, {"abc": [-0.08333333, 0.25, 0.5], "weight": 0.00115741}, {"abc": [0.0, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [0.08333333, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [0.16666667, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [0.25, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [0.33333333, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [0.41666667, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [0.5, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [-0.41666667, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [-0.33333333, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [-0.25, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [-0.16666667, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [-0.08333333, 0.33333333, 0.5], "weight": 0.00115741}, {"abc": [-0.0, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [0.08333333, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [0.16666667, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [0.25, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [0.33333333, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [0.41666667, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [0.5, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [-0.41666667, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [-0.33333333, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [-0.25, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [-0.16666667, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [-0.08333333, 0.41666667, 0.5], "weight": 0.00115741}, {"abc": [-0.0, 0.5, 0.5], "weight": 0.0005787}, {"abc": [0.08333333, 0.5, 0.5], "weight": 0.00115741}, {"abc": [0.16666667, 0.5, 0.5], "weight": 0.00115741}, {"abc": [0.25, 0.5, 0.5], "weight": 0.00115741}, {"abc": [0.33333333, 0.5, 0.5], "weight": 0.00115741}, {"abc": [0.41666667, 0.5, 0.5], "weight": 0.00115741}, {"abc": [0.5, 0.5, 0.5], "weight": 0.0005787}]}, "nkpoints": 868, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.217], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.87226574, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.7092929346298367, 1.5638692553978801, -0.00020114973291760318], [-0.00037233262306690066, 3.1283846967091407, -0.000347282705835143], [0.9029478598013774, 1.5638009728613906, 2.5547822410231187]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.318956, 0.000185, -0.819712], [-1.159251, 2.008215, -0.819524], [2.5e-05, 0.000273, 2.459206]], "a": 2.4595700289085083, "b": 2.4593515311565364, "c": 2.4592060152801354, "alpha": 109.45958252256221, "beta": 109.46706290007663, "gamma": 109.46912204302215, "volume": 11.453776235839058}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.46929704, "e_wo_entrp": -8.46929704, "e_0_energy": 0.0, "forces": [[0.0, -0.0, 0.0]], "stress": [[-17.90900574, 0.68481952, -0.10903833], [0.68481847, -17.04327793, -0.09041154], [-0.10904098, -0.09043212, -17.1943957]], "electronic_steps": [{"alphaZ": 171.50346048, "ewald": -1808.28061557, "hartreedc": -582.60620237, "XCdc": 71.81497899, "pawpsdc": 1835.80643738, "pawaedc": -1924.07099457, "eentropy": 0.0, "bandstr": -230.23483036, "atom": 2456.89122314, "e_fr_energy": -9.17654288, "e_wo_entrp": -9.17654288, "e_0_energy": -9.17654288}, {"e_fr_energy": -9.56198009, "e_wo_entrp": -9.56198009, "e_0_energy": -9.56198009}, {"e_fr_energy": -9.56200362, "e_wo_entrp": -9.56200362, "e_0_energy": -9.56200362}, {"e_fr_energy": -9.56200362, "e_wo_entrp": -9.56200362, "e_0_energy": -9.56200362}, {"e_fr_energy": -9.56200362, "e_wo_entrp": -9.56200362, "e_0_energy": -9.56200362}, {"e_fr_energy": -8.61796808, "e_wo_entrp": -8.61796808, "e_0_energy": -8.61796808}, {"e_fr_energy": -8.4816953, "e_wo_entrp": -8.4816953, "e_0_energy": -8.4816953}, {"e_fr_energy": -8.47024893, "e_wo_entrp": -8.47024893, "e_0_energy": -8.47024893}, {"e_fr_energy": -8.46891644, "e_wo_entrp": -8.46891644, "e_0_energy": -8.46891644}, {"e_fr_energy": -8.46929057, "e_wo_entrp": -8.46929057, "e_0_energy": -8.46929057}, {"alphaZ": 171.50346048, "ewald": -1808.28061557, "hartreedc": -546.79842255, "XCdc": 70.45096092, "pawpsdc": 1861.40805563, "pawaedc": -1952.45947424, "eentropy": 0.0, "bandstr": -261.18448486, "atom": 2456.89122314, "e_fr_energy": -8.46929704, "e_wo_entrp": -8.46929704, "e_0_energy": -8.46929704}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.318956, 0.000185, -0.819712], [-1.159251, 2.008215, -0.819524], [2.5e-05, 0.000273, 2.459206]], "a": 2.4595700289085083, "b": 2.4593515311565364, "c": 2.4592060152801354, "alpha": 109.45958252256221, "beta": 109.46706290007663, "gamma": 109.46912204302215, "volume": 11.453776235839058}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}], "efermi": 5.19554036, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.318956, 0.000185, -0.819712], [-1.159251, 2.008215, -0.819524], [2.5e-05, 0.000273, 2.459206]], "a": 2.4595700289085083, "b": 2.4593515311565364, "c": 2.4592060152801354, "alpha": 109.45958252256221, "beta": 109.46706290007663, "gamma": 109.46912204302215, "volume": 11.453776235839058}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "energy": -8.46929704, "energy_per_atom": -8.46929704, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.1955, "magnetization": [{"s": -0.005, "p": -0.045, "d": 2.261, "tot": 2.211}], "charge": [{"s": 0.383, "p": 6.385, "d": 6.042, "tot": 12.81}], "total_magnetization": 2.1809404, "nelect": 14.0000009, "is_stopped": false, "drift": [[0.0, -0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.4605], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-25-03-22-55-350474/launcher_2020-01-25-03-24-08-426248", "completed_at": "2020-01-24 20:12:52", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a24dfcedcc0e0f31137a5"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a24dfcedcc0e0f31137a8"}}], "chemsys": "Fe", "completed_at": "2020-01-24 20:12:52", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.318956, 0.000185, -0.819712], [-1.159251, 2.008215, -0.819524], [2.5e-05, 0.000273, 2.459206]], "a": 2.4595700289085083, "b": 2.4593515311565364, "c": 2.4592060152801354, "alpha": 109.45958252256221, "beta": 109.46706290007663, "gamma": 109.46912204302215, "volume": 11.453776235839058}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [2.217], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.87226574, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [2.217], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:30:07.056000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 5e-05, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [2.217], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.318956, 0.000185, -0.819712], [-1.159251, 2.008215, -0.819524], [2.5e-05, 0.000273, 2.459206]], "a": 2.4595700289085083, "b": 2.4593515311565364, "c": 2.4592060152801354, "alpha": 109.45958252256221, "beta": 109.46706290007663, "gamma": 109.46912204302215, "volume": 11.453776235839058}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.318956, 0.000185, -0.819712], [-1.159251, 2.008215, -0.819524], [2.5e-05, 0.000273, 2.459206]], "a": 2.4595700289085083, "b": 2.4593515311565364, "c": 2.4592060152801354, "alpha": 109.45958252256221, "beta": 109.46706290007663, "gamma": 109.46912204302215, "volume": 11.453776235839058}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.211}}]}, "density": 8.096264566321585, "energy": -8.46929704, "energy_per_atom": -8.46929704, "forces": [[0.0, -0.0, 0.0]], "stress": [[-17.90900574, 0.68481952, -0.10903833], [0.68481847, -17.04327793, -0.09041154], [-0.10904098, -0.09043212, -17.1943957]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 210240.0, "Elapsed time (sec)": 2878.299, "System time (sec)": 25.578, "User time (sec)": 2851.284, "Total CPU time used (sec)": 2876.862, "cores": "64"}, "overall": {"Total CPU time used (sec)": 2876.862, "User time (sec)": 2851.284, "System time (sec)": 25.578, "Elapsed time (sec)": 2878.299}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271172", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a1129948a4f342aa60802"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-686044", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0007394058169232914, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 4, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-2.005, -2.005, 1.86, 1.863], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[8, 8, 8]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.125, 0.0, -0.0], "genvec2": [-0.0, 0.125, 0.0], "genvec3": [0.0, 0.0, 0.125], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00195312}, {"abc": [0.125, -0.0, -0.0], "weight": 0.00390625}, {"abc": [0.25, -0.0, -0.0], "weight": 0.00390625}, {"abc": [0.375, -0.0, -0.0], "weight": 0.00390625}, {"abc": [0.5, -0.0, -0.0], "weight": 0.00195312}, {"abc": [0.0, 0.125, -0.0], "weight": 0.00390625}, {"abc": [0.125, 0.125, 0.0], "weight": 0.00390625}, {"abc": [0.25, 0.125, -0.0], "weight": 0.00390625}, {"abc": [0.375, 0.125, 0.0], "weight": 0.00390625}, {"abc": [0.5, 0.125, -0.0], "weight": 0.00390625}, {"abc": [-0.375, 0.125, -0.0], "weight": 0.00390625}, {"abc": [-0.25, 0.125, 0.0], "weight": 0.00390625}, {"abc": [-0.125, 0.125, -0.0], "weight": 0.00390625}, {"abc": [0.0, 0.25, -0.0], "weight": 0.00390625}, {"abc": [0.125, 0.25, -0.0], "weight": 0.00390625}, {"abc": [0.25, 0.25, 0.0], "weight": 0.00390625}, {"abc": [0.375, 0.25, -0.0], "weight": 0.00390625}, {"abc": [0.5, 0.25, -0.0], "weight": 0.00390625}, {"abc": [-0.375, 0.25, -0.0], "weight": 0.00390625}, {"abc": [-0.25, 0.25, -0.0], "weight": 0.00390625}, {"abc": [-0.125, 0.25, 0.0], "weight": 0.00390625}, {"abc": [0.0, 0.375, -0.0], "weight": 0.00390625}, {"abc": [0.125, 0.375, -0.0], "weight": 0.00390625}, {"abc": [0.25, 0.375, 0.0], "weight": 0.00390625}, {"abc": [0.375, 0.375, 0.0], "weight": 0.00390625}, {"abc": [0.5, 0.375, -0.0], "weight": 0.00390625}, {"abc": [-0.375, 0.375, 0.0], "weight": 0.00390625}, {"abc": [-0.25, 0.375, -0.0], "weight": 0.00390625}, {"abc": [-0.125, 0.375, 0.0], "weight": 0.00390625}, {"abc": [0.0, 0.5, -0.0], "weight": 0.00195312}, {"abc": [0.125, 0.5, -0.0], "weight": 0.00390625}, {"abc": [0.25, 0.5, -0.0], "weight": 0.00390625}, {"abc": [0.375, 0.5, -0.0], "weight": 0.00390625}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00195312}, {"abc": [0.0, 0.0, 0.125], "weight": 0.00390625}, {"abc": [0.125, 0.0, 0.125], "weight": 0.00390625}, {"abc": [0.25, -0.0, 0.125], "weight": 0.00390625}, {"abc": [0.375, -0.0, 0.125], "weight": 0.00390625}, {"abc": [0.5, -0.0, 0.125], "weight": 0.00390625}, {"abc": [-0.375, 0.0, 0.125], "weight": 0.00390625}, {"abc": [-0.25, 0.0, 0.125], "weight": 0.00390625}, {"abc": [-0.125, 0.0, 0.125], "weight": 0.00390625}, {"abc": [0.0, 0.125, 0.125], "weight": 0.00390625}, {"abc": [0.125, 0.125, 0.125], "weight": 0.00390625}, {"abc": [0.25, 0.125, 0.125], "weight": 0.00390625}, {"abc": [0.375, 0.125, 0.125], "weight": 0.00390625}, {"abc": [0.5, 0.125, 0.125], "weight": 0.00390625}, {"abc": [-0.375, 0.125, 0.125], "weight": 0.00390625}, {"abc": [-0.25, 0.125, 0.125], "weight": 0.00390625}, {"abc": [-0.125, 0.125, 0.125], "weight": 0.00390625}, {"abc": [0.0, 0.25, 0.125], "weight": 0.00390625}, {"abc": [0.125, 0.25, 0.125], "weight": 0.00390625}, {"abc": [0.25, 0.25, 0.125], "weight": 0.00390625}, {"abc": [0.375, 0.25, 0.125], "weight": 0.00390625}, {"abc": [0.5, 0.25, 0.125], "weight": 0.00390625}, {"abc": [-0.375, 0.25, 0.125], "weight": 0.00390625}, {"abc": [-0.25, 0.25, 0.125], "weight": 0.00390625}, {"abc": [-0.125, 0.25, 0.125], "weight": 0.00390625}, {"abc": [0.0, 0.375, 0.125], "weight": 0.00390625}, {"abc": [0.125, 0.375, 0.125], "weight": 0.00390625}, {"abc": [0.25, 0.375, 0.125], "weight": 0.00390625}, {"abc": [0.375, 0.375, 0.125], "weight": 0.00390625}, {"abc": [0.5, 0.375, 0.125], "weight": 0.00390625}, {"abc": [-0.375, 0.375, 0.125], "weight": 0.00390625}, {"abc": [-0.25, 0.375, 0.125], "weight": 0.00390625}, {"abc": [-0.125, 0.375, 0.125], "weight": 0.00390625}, {"abc": [0.0, 0.5, 0.125], "weight": 0.00390625}, {"abc": [0.125, 0.5, 0.125], "weight": 0.00390625}, {"abc": [0.25, 0.5, 0.125], "weight": 0.00390625}, {"abc": [0.375, 0.5, 0.125], "weight": 0.00390625}, {"abc": [0.5, 0.5, 0.125], "weight": 0.00390625}, {"abc": [-0.375, 0.5, 0.125], "weight": 0.00390625}, {"abc": [-0.25, 0.5, 0.125], "weight": 0.00390625}, {"abc": [-0.125, 0.5, 0.125], "weight": 0.00390625}, {"abc": [-0.0, -0.375, 0.125], "weight": 0.00390625}, {"abc": [0.125, -0.375, 0.125], "weight": 0.00390625}, {"abc": [0.25, -0.375, 0.125], "weight": 0.00390625}, {"abc": [0.375, -0.375, 0.125], "weight": 0.00390625}, {"abc": [0.5, -0.375, 0.125], "weight": 0.00390625}, {"abc": [-0.375, -0.375, 0.125], "weight": 0.00390625}, {"abc": [-0.25, -0.375, 0.125], "weight": 0.00390625}, {"abc": [-0.125, -0.375, 0.125], "weight": 0.00390625}, {"abc": [-0.0, -0.25, 0.125], "weight": 0.00390625}, {"abc": [0.125, -0.25, 0.125], "weight": 0.00390625}, {"abc": [0.25, -0.25, 0.125], "weight": 0.00390625}, {"abc": [0.375, -0.25, 0.125], "weight": 0.00390625}, {"abc": [0.5, -0.25, 0.125], "weight": 0.00390625}, {"abc": [-0.375, -0.25, 0.125], "weight": 0.00390625}, {"abc": [-0.25, -0.25, 0.125], "weight": 0.00390625}, {"abc": [-0.125, -0.25, 0.125], "weight": 0.00390625}, {"abc": [-0.0, -0.125, 0.125], "weight": 0.00390625}, {"abc": [0.125, -0.125, 0.125], "weight": 0.00390625}, {"abc": [0.25, -0.125, 0.125], "weight": 0.00390625}, {"abc": [0.375, -0.125, 0.125], "weight": 0.00390625}, {"abc": [0.5, -0.125, 0.125], "weight": 0.00390625}, {"abc": [-0.375, -0.125, 0.125], "weight": 0.00390625}, {"abc": [-0.25, -0.125, 0.125], "weight": 0.00390625}, {"abc": [-0.125, -0.125, 0.125], "weight": 0.00390625}, {"abc": [0.0, 0.0, 0.25], "weight": 0.00390625}, {"abc": [0.125, 0.0, 0.25], "weight": 0.00390625}, {"abc": [0.25, 0.0, 0.25], "weight": 0.00390625}, {"abc": [0.375, -0.0, 0.25], "weight": 0.00390625}, {"abc": [0.5, -0.0, 0.25], "weight": 0.00390625}, {"abc": [-0.375, 0.0, 0.25], "weight": 0.00390625}, {"abc": [-0.25, 0.0, 0.25], "weight": 0.00390625}, {"abc": [-0.125, -0.0, 0.25], "weight": 0.00390625}, {"abc": [-0.0, 0.125, 0.25], "weight": 0.00390625}, {"abc": [0.125, 0.125, 0.25], "weight": 0.00390625}, {"abc": [0.25, 0.125, 0.25], "weight": 0.00390625}, {"abc": [0.375, 0.125, 0.25], "weight": 0.00390625}, {"abc": [0.5, 0.125, 0.25], "weight": 0.00390625}, {"abc": [-0.375, 0.125, 0.25], "weight": 0.00390625}, {"abc": [-0.25, 0.125, 0.25], "weight": 0.00390625}, {"abc": [-0.125, 0.125, 0.25], "weight": 0.00390625}, {"abc": [0.0, 0.25, 0.25], "weight": 0.00390625}, {"abc": [0.125, 0.25, 0.25], "weight": 0.00390625}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00390625}, {"abc": [0.375, 0.25, 0.25], "weight": 0.00390625}, {"abc": [0.5, 0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.375, 0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.125, 0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.0, 0.375, 0.25], "weight": 0.00390625}, {"abc": [0.125, 0.375, 0.25], "weight": 0.00390625}, {"abc": [0.25, 0.375, 0.25], "weight": 0.00390625}, {"abc": [0.375, 0.375, 0.25], "weight": 0.00390625}, {"abc": [0.5, 0.375, 0.25], "weight": 0.00390625}, {"abc": [-0.375, 0.375, 0.25], "weight": 0.00390625}, {"abc": [-0.25, 0.375, 0.25], "weight": 0.00390625}, {"abc": [-0.125, 0.375, 0.25], "weight": 0.00390625}, {"abc": [0.0, 0.5, 0.25], "weight": 0.00390625}, {"abc": [0.125, 0.5, 0.25], "weight": 0.00390625}, {"abc": [0.25, 0.5, 0.25], "weight": 0.00390625}, {"abc": [0.375, 0.5, 0.25], "weight": 0.00390625}, {"abc": [0.5, 0.5, 0.25], "weight": 0.00390625}, {"abc": [-0.375, 0.5, 0.25], "weight": 0.00390625}, {"abc": [-0.25, 0.5, 0.25], "weight": 0.00390625}, {"abc": [-0.125, 0.5, 0.25], "weight": 0.00390625}, {"abc": [-0.0, -0.375, 0.25], "weight": 0.00390625}, {"abc": [0.125, -0.375, 0.25], "weight": 0.00390625}, {"abc": [0.25, -0.375, 0.25], "weight": 0.00390625}, {"abc": [0.375, -0.375, 0.25], "weight": 0.00390625}, {"abc": [0.5, -0.375, 0.25], "weight": 0.00390625}, {"abc": [-0.375, -0.375, 0.25], "weight": 0.00390625}, {"abc": [-0.25, -0.375, 0.25], "weight": 0.00390625}, {"abc": [-0.125, -0.375, 0.25], "weight": 0.00390625}, {"abc": [-0.0, -0.25, 0.25], "weight": 0.00390625}, {"abc": [0.125, -0.25, 0.25], "weight": 0.00390625}, {"abc": [0.25, -0.25, 0.25], "weight": 0.00390625}, {"abc": [0.375, -0.25, 0.25], "weight": 0.00390625}, {"abc": [0.5, -0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.375, -0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.25, -0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.125, -0.25, 0.25], "weight": 0.00390625}, {"abc": [-0.0, -0.125, 0.25], "weight": 0.00390625}, {"abc": [0.125, -0.125, 0.25], "weight": 0.00390625}, {"abc": [0.25, -0.125, 0.25], "weight": 0.00390625}, {"abc": [0.375, -0.125, 0.25], "weight": 0.00390625}, {"abc": [0.5, -0.125, 0.25], "weight": 0.00390625}, {"abc": [-0.375, -0.125, 0.25], "weight": 0.00390625}, {"abc": [-0.25, -0.125, 0.25], "weight": 0.00390625}, {"abc": [-0.125, -0.125, 0.25], "weight": 0.00390625}, {"abc": [0.0, 0.0, 0.375], "weight": 0.00390625}, {"abc": [0.125, 0.0, 0.375], "weight": 0.00390625}, {"abc": [0.25, 0.0, 0.375], "weight": 0.00390625}, {"abc": [0.375, -0.0, 0.375], "weight": 0.00390625}, {"abc": [0.5, 0.0, 0.375], "weight": 0.00390625}, {"abc": [-0.375, 0.0, 0.375], "weight": 0.00390625}, {"abc": [-0.25, 0.0, 0.375], "weight": 0.00390625}, {"abc": [-0.125, 0.0, 0.375], "weight": 0.00390625}, {"abc": [0.0, 0.125, 0.375], "weight": 0.00390625}, {"abc": [0.125, 0.125, 0.375], "weight": 0.00390625}, {"abc": [0.25, 0.125, 0.375], "weight": 0.00390625}, {"abc": [0.375, 0.125, 0.375], "weight": 0.00390625}, {"abc": [0.5, 0.125, 0.375], "weight": 0.00390625}, {"abc": [-0.375, 0.125, 0.375], "weight": 0.00390625}, {"abc": [-0.25, 0.125, 0.375], "weight": 0.00390625}, {"abc": [-0.125, 0.125, 0.375], "weight": 0.00390625}, {"abc": [0.0, 0.25, 0.375], "weight": 0.00390625}, {"abc": [0.125, 0.25, 0.375], "weight": 0.00390625}, {"abc": [0.25, 0.25, 0.375], "weight": 0.00390625}, {"abc": [0.375, 0.25, 0.375], "weight": 0.00390625}, {"abc": [0.5, 0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.375, 0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.25, 0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.125, 0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.0, 0.375, 0.375], "weight": 0.00390625}, {"abc": [0.125, 0.375, 0.375], "weight": 0.00390625}, {"abc": [0.25, 0.375, 0.375], "weight": 0.00390625}, {"abc": [0.375, 0.375, 0.375], "weight": 0.00390625}, {"abc": [0.5, 0.375, 0.375], "weight": 0.00390625}, {"abc": [-0.375, 0.375, 0.375], "weight": 0.00390625}, {"abc": [-0.25, 0.375, 0.375], "weight": 0.00390625}, {"abc": [-0.125, 0.375, 0.375], "weight": 0.00390625}, {"abc": [0.0, 0.5, 0.375], "weight": 0.00390625}, {"abc": [0.125, 0.5, 0.375], "weight": 0.00390625}, {"abc": [0.25, 0.5, 0.375], "weight": 0.00390625}, {"abc": [0.375, 0.5, 0.375], "weight": 0.00390625}, {"abc": [0.5, 0.5, 0.375], "weight": 0.00390625}, {"abc": [-0.375, 0.5, 0.375], "weight": 0.00390625}, {"abc": [-0.25, 0.5, 0.375], "weight": 0.00390625}, {"abc": [-0.125, 0.5, 0.375], "weight": 0.00390625}, {"abc": [-0.0, -0.375, 0.375], "weight": 0.00390625}, {"abc": [0.125, -0.375, 0.375], "weight": 0.00390625}, {"abc": [0.25, -0.375, 0.375], "weight": 0.00390625}, {"abc": [0.375, -0.375, 0.375], "weight": 0.00390625}, {"abc": [0.5, -0.375, 0.375], "weight": 0.00390625}, {"abc": [-0.375, -0.375, 0.375], "weight": 0.00390625}, {"abc": [-0.25, -0.375, 0.375], "weight": 0.00390625}, {"abc": [-0.125, -0.375, 0.375], "weight": 0.00390625}, {"abc": [-0.0, -0.25, 0.375], "weight": 0.00390625}, {"abc": [0.125, -0.25, 0.375], "weight": 0.00390625}, {"abc": [0.25, -0.25, 0.375], "weight": 0.00390625}, {"abc": [0.375, -0.25, 0.375], "weight": 0.00390625}, {"abc": [0.5, -0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.375, -0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.25, -0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.125, -0.25, 0.375], "weight": 0.00390625}, {"abc": [-0.0, -0.125, 0.375], "weight": 0.00390625}, {"abc": [0.125, -0.125, 0.375], "weight": 0.00390625}, {"abc": [0.25, -0.125, 0.375], "weight": 0.00390625}, {"abc": [0.375, -0.125, 0.375], "weight": 0.00390625}, {"abc": [0.5, -0.125, 0.375], "weight": 0.00390625}, {"abc": [-0.375, -0.125, 0.375], "weight": 0.00390625}, {"abc": [-0.25, -0.125, 0.375], "weight": 0.00390625}, {"abc": [-0.125, -0.125, 0.375], "weight": 0.00390625}, {"abc": [0.0, 0.0, 0.5], "weight": 0.00195312}, {"abc": [0.125, -0.0, 0.5], "weight": 0.00390625}, {"abc": [0.25, 0.0, 0.5], "weight": 0.00390625}, {"abc": [0.375, -0.0, 0.5], "weight": 0.00390625}, {"abc": [0.5, 0.0, 0.5], "weight": 0.00195312}, {"abc": [0.0, 0.125, 0.5], "weight": 0.00390625}, {"abc": [0.125, 0.125, 0.5], "weight": 0.00390625}, {"abc": [0.25, 0.125, 0.5], "weight": 0.00390625}, {"abc": [0.375, 0.125, 0.5], "weight": 0.00390625}, {"abc": [0.5, 0.125, 0.5], "weight": 0.00390625}, {"abc": [-0.375, 0.125, 0.5], "weight": 0.00390625}, {"abc": [-0.25, 0.125, 0.5], "weight": 0.00390625}, {"abc": [-0.125, 0.125, 0.5], "weight": 0.00390625}, {"abc": [-0.0, 0.25, 0.5], "weight": 0.00390625}, {"abc": [0.125, 0.25, 0.5], "weight": 0.00390625}, {"abc": [0.25, 0.25, 0.5], "weight": 0.00390625}, {"abc": [0.375, 0.25, 0.5], "weight": 0.00390625}, {"abc": [0.5, 0.25, 0.5], "weight": 0.00390625}, {"abc": [-0.375, 0.25, 0.5], "weight": 0.00390625}, {"abc": [-0.25, 0.25, 0.5], "weight": 0.00390625}, {"abc": [-0.125, 0.25, 0.5], "weight": 0.00390625}, {"abc": [-0.0, 0.375, 0.5], "weight": 0.00390625}, {"abc": [0.125, 0.375, 0.5], "weight": 0.00390625}, {"abc": [0.25, 0.375, 0.5], "weight": 0.00390625}, {"abc": [0.375, 0.375, 0.5], "weight": 0.00390625}, {"abc": [0.5, 0.375, 0.5], "weight": 0.00390625}, {"abc": [-0.375, 0.375, 0.5], "weight": 0.00390625}, {"abc": [-0.25, 0.375, 0.5], "weight": 0.00390625}, {"abc": [-0.125, 0.375, 0.5], "weight": 0.00390625}, {"abc": [0.0, 0.5, 0.5], "weight": 0.00195312}, {"abc": [0.125, 0.5, 0.5], "weight": 0.00390625}, {"abc": [0.25, 0.5, 0.5], "weight": 0.00390625}, {"abc": [0.375, 0.5, 0.5], "weight": 0.00390625}, {"abc": [0.5, 0.5, 0.5], "weight": 0.00195312}]}, "nkpoints": 260, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-2.005, -2.005, 1.86, 1.863], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 30, "NGY": 30, "NGZ": 30, "NGXF": 60, "NGYF": 60, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.75383504, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[4.0956529515948604e-05, -3.6194351011742167e-05, 1.9268940574649964], [0.9084197609197369, 1.5735009370396715, 0.642287508743841], [-1.8169309811286778, 6.438145706830103e-05, 0.6422591986701744]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.152548, -1.996388, 3.260722], [0.000168, 3.992997, 7.5e-05], [-3.458021, 1.996353, 0.000111]], "a": 3.993274333192249, "b": 3.9929970042385454, "c": 3.9929105361090924, "alpha": 60.00410510328107, "beta": 119.99284208179756, "gamma": 119.99405391604158, "volume": 45.025566938464934}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499997, 0.500001, 0.499999], "xyz": [-1.152652499455, 1.9964889858080002, 1.630444217798], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.250003, 0.749999, 0.750001], "xyz": [-2.3052527505450002, 3.9929075141920003, 0.8153297822019998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999996, 0.0, 0.0], "xyz": [1.152543389808, -1.996380014448, 3.260708957112], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750004, 0.25, 0.250001], "xyz": [-5.109782899992421e-05, 4.0510800999926655e-05, 2.4456010429990003], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -33.15250747, "e_wo_entrp": -33.15250747, "e_0_energy": 0.0, "forces": [[4.778e-05, -0.00031556, 0.00066335], [-6.326e-05, 0.00032551, -0.00066088], [8.933e-05, -0.00029593, 0.00055753], [-7.384e-05, 0.00028598, -0.00056001]], "stress": [[-8.87452835, -0.08016489, -0.0443942], [-0.08016426, -8.67320701, -0.12638113], [-0.0443929, -0.12637844, -10.58322886]], "electronic_steps": [{"alphaZ": 698.04331843, "ewald": -7275.1563832, "hartreedc": -2307.7813566, "XCdc": 286.97517672, "pawpsdc": 7343.65505791, "pawaedc": -7696.75382373, "eentropy": 0.0, "bandstr": -838.66264609, "atom": 9827.56489258, "e_fr_energy": 37.88423601, "e_wo_entrp": 37.88423601, "e_0_energy": 37.88423601}, {"e_fr_energy": -38.04618817, "e_wo_entrp": -38.04618817, "e_0_energy": -38.04618817}, {"e_fr_energy": -38.18517668, "e_wo_entrp": -38.18517668, "e_0_energy": -38.18517668}, {"e_fr_energy": -38.18538264, "e_wo_entrp": -38.18538264, "e_0_energy": -38.18538264}, {"e_fr_energy": -38.18538265, "e_wo_entrp": -38.18538265, "e_0_energy": -38.18538265}, {"e_fr_energy": -33.76625832, "e_wo_entrp": -33.76625832, "e_0_energy": -33.76625832}, {"e_fr_energy": -33.20828171, "e_wo_entrp": -33.20828171, "e_0_energy": -33.20828171}, {"e_fr_energy": -33.22799091, "e_wo_entrp": -33.22799091, "e_0_energy": -33.22799091}, {"e_fr_energy": -33.17932944, "e_wo_entrp": -33.17932944, "e_0_energy": -33.17932944}, {"e_fr_energy": -33.15365095, "e_wo_entrp": -33.15365095, "e_0_energy": -33.15365095}, {"e_fr_energy": -33.15263875, "e_wo_entrp": -33.15263875, "e_0_energy": -33.15263875}, {"e_fr_energy": -33.1525656, "e_wo_entrp": -33.1525656, "e_0_energy": -33.1525656}, {"e_fr_energy": -33.15257046, "e_wo_entrp": -33.15257046, "e_0_energy": -33.15257046}, {"alphaZ": 698.04331843, "ewald": -7275.1563832, "hartreedc": -2159.56275189, "XCdc": 281.07931654, "pawpsdc": 7458.56711316, "pawaedc": -7822.64239314, "eentropy": 0.0, "bandstr": -1041.04561994, "atom": 9827.56489258, "e_fr_energy": -33.15250747, "e_wo_entrp": -33.15250747, "e_0_energy": -33.15250747}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.152548, -1.996388, 3.260722], [0.000168, 3.992997, 7.5e-05], [-3.458021, 1.996353, 0.000111]], "a": 3.993274333192249, "b": 3.9929970042385454, "c": 3.9929105361090924, "alpha": 60.00410510328107, "beta": 119.99284208179756, "gamma": 119.99405391604158, "volume": 45.025566938464934}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499997, 0.500001, 0.499999], "xyz": [-1.152652499455, 1.9964889858080002, 1.630444217798], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.250003, 0.749999, 0.750001], "xyz": [-2.3052527505450002, 3.9929075141920003, 0.8153297822019998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999996, 0.0, 0.0], "xyz": [1.152543389808, -1.996380014448, 3.260708957112], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750004, 0.25, 0.250001], "xyz": [-5.109782899992421e-05, 4.0510800999926655e-05, 2.4456010429990003], "label": "Fe", "properties": {}}]}}], "efermi": 5.65626227, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.152548, -1.996388, 3.260722], [0.000168, 3.992997, 7.5e-05], [-3.458021, 1.996353, 0.000111]], "a": 3.993274333192249, "b": 3.9929970042385454, "c": 3.9929105361090924, "alpha": 60.00410510328107, "beta": 119.99284208179756, "gamma": 119.99405391604158, "volume": 45.025566938464934}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499997, 0.500001, 0.499999], "xyz": [-1.152652499455, 1.9964889858080002, 1.630444217798], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.250003, 0.749999, 0.750001], "xyz": [-2.3052527505450002, 3.9929075141920003, 0.8153297822019998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999996, 0.0, 0.0], "xyz": [1.152543389808, -1.996380014448, 3.260708957112], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750004, 0.25, 0.250001], "xyz": [-5.109782899992421e-05, 4.0510800999926655e-05, 2.4456010429990003], "label": "Fe", "properties": {}}]}, "energy": -33.15250747, "energy_per_atom": -8.2881268675, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.6563, "magnetization": [{"s": -0.019, "p": -0.024, "d": -1.93, "tot": -1.974}, {"s": -0.019, "p": -0.024, "d": -1.931, "tot": -1.975}, {"s": 0.018, "p": 0.025, "d": 1.844, "tot": 1.887}, {"s": 0.018, "p": 0.025, "d": 1.846, "tot": 1.889}], "charge": [{"s": 0.393, "p": 6.409, "d": 6.03, "tot": 12.831}, {"s": 0.393, "p": 6.409, "d": 6.03, "tot": 12.832}, {"s": 0.393, "p": 6.409, "d": 6.034, "tot": 12.836}, {"s": 0.393, "p": 6.409, "d": 6.035, "tot": 12.837}], "total_magnetization": -0.1691164, "nelect": 56.0000028, "is_stopped": false, "drift": [[0.0, 0.0, -5e-06]], "ngf": [60, 60, 60], "sampling_radii": [0.95], "electrostatic_potential": [-45.4638, -45.4645, -45.4465, -45.4481], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-686044", "completed_at": "2020-01-24 16:15:55", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2503cedcc0e0f31137e9"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2503cedcc0e0f31137ec"}}], "chemsys": "Fe", "completed_at": "2020-01-24 16:15:55", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.152548, -1.996388, 3.260722], [0.000168, 3.992997, 7.5e-05], [-3.458021, 1.996353, 0.000111]], "a": 3.993274333192249, "b": 3.9929970042385454, "c": 3.9929105361090924, "alpha": 60.00410510328107, "beta": 119.99284208179756, "gamma": 119.99405391604158, "volume": 45.025566938464934}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499997, 0.500001, 0.499999], "xyz": [-1.152652499455, 1.9964889858080002, 1.630444217798], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.250003, 0.749999, 0.750001], "xyz": [-2.3052527505450002, 3.9929075141920003, 0.8153297822019998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999996, 0.0, 0.0], "xyz": [1.152543389808, -1.996380014448, 3.260708957112], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750004, 0.25, 0.250001], "xyz": [-5.109782899992421e-05, 4.0510800999926655e-05, 2.4456010429990003], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-2.005, -2.005, 1.86, 1.863], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 30, "NGY": 30, "NGZ": 30, "NGXF": 60, "NGYF": 60, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.75383504, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-2.005, -2.005, 1.86, 1.863], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:30:43.693000"}, "nelements": 1, "nsites": 4, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-2.005, -2.005, 1.86, 1.863], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.152548, -1.996388, 3.260722], [0.000168, 3.992997, 7.5e-05], [-3.458021, 1.996353, 0.000111]], "a": 3.993274333192249, "b": 3.9929970042385454, "c": 3.9929105361090924, "alpha": 60.00410510328107, "beta": 119.99284208179756, "gamma": 119.99405391604158, "volume": 45.025566938464934}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499997, 0.500001, 0.499999], "xyz": [-1.152652499455, 1.9964889858080002, 1.630444217798], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.250003, 0.749999, 0.750001], "xyz": [-2.3052527505450002, 3.9929075141920003, 0.8153297822019998], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [-4e-06, 0.0, 1.0], "xyz": [-3.458025610192, 1.9963609855520001, 9.7957112e-05], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750004, 0.25, 0.250001], "xyz": [-5.109782899992421e-05, 4.0510800999926655e-05, 2.4456010429990003], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[8, 8, 8]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.152548, -1.996388, 3.260722], [0.000168, 3.992997, 7.5e-05], [-3.458021, 1.996353, 0.000111]], "a": 3.993274333192249, "b": 3.9929970042385454, "c": 3.9929105361090924, "alpha": 60.00410510328107, "beta": 119.99284208179756, "gamma": 119.99405391604158, "volume": 45.025566938464934}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.499997, 0.500001, 0.499999], "xyz": [-1.152652499455, 1.9964889858080002, 1.630444217798], "label": "Fe", "properties": {"magmom": -1.974}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.250003, 0.749999, 0.750001], "xyz": [-2.3052527505450002, 3.9929075141920003, 0.8153297822019998], "label": "Fe", "properties": {"magmom": -1.975}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999996, 0.0, 0.0], "xyz": [1.152543389808, -1.996380014448, 3.260708957112], "label": "Fe", "properties": {"magmom": 1.887}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.750004, 0.25, 0.250001], "xyz": [-5.109782899992421e-05, 4.0510800999926655e-05, 2.4456010429990003], "label": "Fe", "properties": {"magmom": 1.889}}]}, "density": 8.238235206724665, "energy": -33.15250747, "energy_per_atom": -8.2881268675, "forces": [[4.778e-05, -0.00031556, 0.00066335], [-6.326e-05, 0.00032551, -0.00066088], [8.933e-05, -0.00029593, 0.00055753], [-7.384e-05, 0.00028598, -0.00056001]], "stress": [[-8.87452835, -0.08016489, -0.0443942], [-0.08016426, -8.67320701, -0.12638113], [-0.0443929, -0.12637844, -10.58322886]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 211356.0, "Elapsed time (sec)": 1315.381, "System time (sec)": 16.095, "User time (sec)": 1297.894, "Total CPU time used (sec)": 1313.989, "cores": "64"}, "overall": {"Total CPU time used (sec)": 1313.989, "User time (sec)": 1297.894, "System time (sec)": 16.095, "Elapsed time (sec)": 1315.381}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271183", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a1123948a4f342aa6075e"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-25-07-46-21-927537/launcher_2020-01-25-10-20-11-466482", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.04006435400449132, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 4, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.382, -1.383, 1.383, 1.382], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 7, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.09090909, -0.0, -0.0], "genvec2": [-0.0, 0.14285714, 0.0], "genvec3": [-0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0021645}, {"abc": [0.09090909, -0.0, -0.0], "weight": 0.004329}, {"abc": [0.18181818, -0.0, -0.0], "weight": 0.004329}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.004329}, {"abc": [0.36363636, -0.0, -0.0], "weight": 0.004329}, {"abc": [0.45454545, -0.0, 0.0], "weight": 0.004329}, {"abc": [0.0, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [0.09090909, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [0.18181818, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [0.27272727, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [0.36363636, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [0.45454545, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [-0.45454545, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [-0.36363636, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [-0.27272727, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [-0.18181818, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [-0.09090909, 0.14285714, 0.0], "weight": 0.004329}, {"abc": [0.0, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [0.09090909, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [0.18181818, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [0.27272727, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [0.36363636, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [0.45454545, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [-0.45454545, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [-0.36363636, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [-0.27272727, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [-0.18181818, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [-0.09090909, 0.28571429, 0.0], "weight": 0.004329}, {"abc": [0.0, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [0.09090909, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [0.18181818, 0.42857143, -0.0], "weight": 0.004329}, {"abc": [0.27272727, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [0.36363636, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [0.45454545, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [-0.45454545, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [-0.36363636, 0.42857143, -0.0], "weight": 0.004329}, {"abc": [-0.27272727, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [-0.18181818, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [-0.09090909, 0.42857143, 0.0], "weight": 0.004329}, {"abc": [0.0, 0.0, 0.16666667], "weight": 0.004329}, {"abc": [0.09090909, 0.0, 0.16666667], "weight": 0.004329}, {"abc": [0.18181818, 0.0, 0.16666667], "weight": 0.004329}, {"abc": [0.27272727, 0.0, 0.16666667], "weight": 0.004329}, {"abc": [0.36363636, 0.0, 0.16666667], "weight": 0.004329}, {"abc": [0.45454545, -0.0, 0.16666667], "weight": 0.004329}, {"abc": [-0.45454545, -0.0, 0.16666667], "weight": 0.004329}, {"abc": [-0.36363636, -0.0, 0.16666667], "weight": 0.004329}, {"abc": [-0.27272727, 0.0, 0.16666667], "weight": 0.004329}, {"abc": [-0.18181818, -0.0, 0.16666667], "weight": 0.004329}, {"abc": [-0.09090909, -0.0, 0.16666667], "weight": 0.004329}, {"abc": [0.0, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.09090909, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.18181818, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.27272727, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.36363636, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.45454545, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.45454545, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.36363636, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.27272727, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.18181818, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.09090909, 0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.0, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.09090909, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.18181818, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.27272727, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.36363636, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.45454545, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.45454545, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.36363636, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.27272727, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.18181818, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.09090909, 0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.0, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.09090909, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.18181818, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.27272727, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.36363636, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.45454545, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.45454545, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.36363636, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.27272727, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.18181818, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.09090909, 0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.0, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.09090909, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.18181818, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.27272727, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.36363636, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [0.45454545, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.45454545, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.36363636, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.27272727, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.18181818, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.09090909, -0.42857143, 0.16666667], "weight": 0.004329}, {"abc": [-0.0, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.09090909, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.18181818, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.27272727, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.36363636, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.45454545, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.45454545, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.36363636, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.27272727, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.18181818, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [-0.09090909, -0.28571429, 0.16666667], "weight": 0.004329}, {"abc": [0.0, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.09090909, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.18181818, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.27272727, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.36363636, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.45454545, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.45454545, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.36363636, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.27272727, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.18181818, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [-0.09090909, -0.14285714, 0.16666667], "weight": 0.004329}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.004329}, {"abc": [0.09090909, 0.0, 0.33333333], "weight": 0.004329}, {"abc": [0.18181818, 0.0, 0.33333333], "weight": 0.004329}, {"abc": [0.27272727, 0.0, 0.33333333], "weight": 0.004329}, {"abc": [0.36363636, 0.0, 0.33333333], "weight": 0.004329}, {"abc": [0.45454545, 0.0, 0.33333333], "weight": 0.004329}, {"abc": [-0.45454545, -0.0, 0.33333333], "weight": 0.004329}, {"abc": [-0.36363636, -0.0, 0.33333333], "weight": 0.004329}, {"abc": [-0.27272727, -0.0, 0.33333333], "weight": 0.004329}, {"abc": [-0.18181818, -0.0, 0.33333333], "weight": 0.004329}, {"abc": [-0.09090909, 0.0, 0.33333333], "weight": 0.004329}, {"abc": [0.0, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.09090909, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.18181818, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.27272727, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.36363636, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.45454545, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.45454545, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.36363636, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.27272727, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.18181818, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.09090909, 0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.0, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.09090909, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.18181818, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.27272727, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.36363636, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.45454545, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.45454545, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.36363636, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.27272727, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.18181818, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.09090909, 0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.0, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.09090909, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.18181818, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.27272727, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.36363636, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.45454545, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.45454545, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.36363636, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.27272727, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.18181818, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.09090909, 0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.0, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.09090909, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.18181818, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.27272727, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.36363636, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.45454545, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.45454545, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.36363636, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.27272727, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.18181818, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [-0.09090909, -0.42857143, 0.33333333], "weight": 0.004329}, {"abc": [0.0, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.09090909, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.18181818, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.27272727, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.36363636, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.45454545, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.45454545, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.36363636, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.27272727, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.18181818, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [-0.09090909, -0.28571429, 0.33333333], "weight": 0.004329}, {"abc": [0.0, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.09090909, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.18181818, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.27272727, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.36363636, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.45454545, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.45454545, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.36363636, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.27272727, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.18181818, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [-0.09090909, -0.14285714, 0.33333333], "weight": 0.004329}, {"abc": [0.0, 0.0, 0.5], "weight": 0.0021645}, {"abc": [0.09090909, 0.0, 0.5], "weight": 0.004329}, {"abc": [0.18181818, 0.0, 0.5], "weight": 0.004329}, {"abc": [0.27272727, 0.0, 0.5], "weight": 0.004329}, {"abc": [0.36363636, 0.0, 0.5], "weight": 0.004329}, {"abc": [0.45454545, 0.0, 0.5], "weight": 0.004329}, {"abc": [0.0, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [0.09090909, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [0.18181818, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [0.27272727, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [0.36363636, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [0.45454545, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [-0.45454545, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [-0.36363636, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [-0.27272727, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [-0.18181818, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [-0.09090909, 0.14285714, 0.5], "weight": 0.004329}, {"abc": [0.0, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [0.09090909, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [0.18181818, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [0.27272727, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [0.36363636, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [0.45454545, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [-0.45454545, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [-0.36363636, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [-0.27272727, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [-0.18181818, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [-0.09090909, 0.28571429, 0.5], "weight": 0.004329}, {"abc": [0.0, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [0.09090909, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [0.18181818, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [0.27272727, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [0.36363636, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [0.45454545, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [-0.45454545, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [-0.36363636, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [-0.27272727, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [-0.18181818, 0.42857143, 0.5], "weight": 0.004329}, {"abc": [-0.09090909, 0.42857143, 0.5], "weight": 0.004329}]}, "nkpoints": 232, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.382, -1.383, 1.383, 1.382], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 30, "NGZ": 36, "NGXF": 36, "NGYF": 60, "NGZF": 72, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.3911018, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.455290960796544, -0.2030065586338602, -0.7420013484345775], [0.458862243782474, 0.7892658631934363, 1.2895885071147029], [0.11548908920667367, -1.2350521297872834, 0.7155488770190793]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -33.6601167, "e_wo_entrp": -33.6601167, "e_0_energy": 0.0, "forces": [[-0.01625824, 0.03168284, -0.01112625], [0.01579712, -0.03333574, 0.01234078], [-0.01605192, 0.03439988, -0.01281158], [0.01651304, -0.03274698, 0.01159705]], "stress": [[-16.81695435, 0.43721499, 2.4935576], [0.43715322, -15.44555956, -2.10317513], [2.49711492, -2.10397483, -16.69432423]], "electronic_steps": [{"alphaZ": 737.6614507, "ewald": -7408.70463751, "hartreedc": -2237.71494513, "XCdc": 287.20337836, "pawpsdc": 7344.32455093, "pawaedc": -7697.48642548, "eentropy": 0.0, "bandstr": -825.09081465, "atom": 9827.56489258, "e_fr_energy": 27.75744981, "e_wo_entrp": 27.75744981, "e_0_energy": 27.75744981}, {"e_fr_energy": -39.36937356, "e_wo_entrp": -39.36937356, "e_0_energy": -39.36937356}, {"e_fr_energy": -39.49255647, "e_wo_entrp": -39.49255647, "e_0_energy": -39.49255647}, {"e_fr_energy": -39.49271987, "e_wo_entrp": -39.49271987, "e_0_energy": -39.49271987}, {"e_fr_energy": -39.49271988, "e_wo_entrp": -39.49271988, "e_0_energy": -39.49271988}, {"e_fr_energy": -34.40254159, "e_wo_entrp": -34.40254159, "e_0_energy": -34.40254159}, {"e_fr_energy": -33.69659916, "e_wo_entrp": -33.69659916, "e_0_energy": -33.69659916}, {"e_fr_energy": -33.67366144, "e_wo_entrp": -33.67366144, "e_0_energy": -33.67366144}, {"e_fr_energy": -33.65983324, "e_wo_entrp": -33.65983324, "e_0_energy": -33.65983324}, {"e_fr_energy": -33.66082234, "e_wo_entrp": -33.66082234, "e_0_energy": -33.66082234}, {"e_fr_energy": -33.66101537, "e_wo_entrp": -33.66101537, "e_0_energy": -33.66101537}, {"e_fr_energy": -33.66005896, "e_wo_entrp": -33.66005896, "e_0_energy": -33.66005896}, {"alphaZ": 737.6614507, "ewald": -7408.70463751, "hartreedc": -2087.17764845, "XCdc": 280.84798317, "pawpsdc": 7522.78551535, "pawaedc": -7885.47756725, "eentropy": 0.0, "bandstr": -1021.16010528, "atom": 9827.56489258, "e_fr_energy": -33.6601167, "e_wo_entrp": -33.6601167, "e_0_energy": -33.6601167}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {}}]}}], "efermi": 5.99606324, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {}}]}, "energy": -33.6601167, "energy_per_atom": -8.415029175, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9961, "magnetization": [{"s": -0.018, "p": -0.025, "d": -1.319, "tot": -1.361}, {"s": -0.018, "p": -0.025, "d": -1.322, "tot": -1.365}, {"s": 0.018, "p": 0.025, "d": 1.319, "tot": 1.362}, {"s": 0.018, "p": 0.025, "d": 1.323, "tot": 1.365}], "charge": [{"s": 0.413, "p": 6.439, "d": 6.083, "tot": 12.935}, {"s": 0.413, "p": 6.439, "d": 6.07, "tot": 12.922}, {"s": 0.413, "p": 6.439, "d": 6.081, "tot": 12.933}, {"s": 0.413, "p": 6.439, "d": 6.068, "tot": 12.92}], "total_magnetization": -5.6e-05, "nelect": 56.000004, "is_stopped": false, "drift": [[0.00074, 9.8e-05, -0.000132]], "ngf": [36, 60, 72], "sampling_radii": [0.95], "electrostatic_potential": [-45.1103, -45.1008, -45.1086, -45.0985], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-25-07-46-21-927537/launcher_2020-01-25-10-20-11-466482", "completed_at": "2020-01-25 02:39:06", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2535cedcc0e0f3113843"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2535cedcc0e0f3113846"}}], "chemsys": "Fe", "completed_at": "2020-01-25 02:39:06", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.382, -1.383, 1.383, 1.382], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 30, "NGZ": 36, "NGXF": 36, "NGYF": 60, "NGZF": 72, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.3911018, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.382, -1.383, 1.383, 1.382], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:31:33.195000"}, "nelements": 1, "nsites": 4, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-1.382, -1.383, 1.383, 1.382], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 7, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.328461, -0.193624, -0.710011], [1.145816, 1.98861, 3.247448], [0.349508, -3.784728, 2.192002]], "a": 2.441994369776065, "b": 3.9766043995675506, "c": 4.387618333908728, "alpha": 90.02450916572968, "beta": 90.05195403581517, "gamma": 90.13439780056994, "volume": 42.607345321236465}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.375904, 0.999967, 0.466148], "xyz": [2.183978447, 0.15151695203000015, 4.002242207568], "label": "Fe", "properties": {"magmom": -1.361}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.374125, 0.500032, 0.783829], "xyz": [1.7180346438690002, -2.044650506992, 3.076349788619], "label": "Fe", "properties": {"magmom": -1.365}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.875893, 0.999966, 0.966157], "xyz": [3.5229393336850006, -1.837692969268, 4.743261998259], "label": "Fe", "properties": {"magmom": 1.362}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.874077, 0.500035, 0.283866], "xyz": [2.7074157469849998, -0.24922328214599998, 1.6254682155650002], "label": "Fe", "properties": {"magmom": 1.365}}]}, "density": 8.70580431516158, "energy": -33.6601167, "energy_per_atom": -8.415029175, "forces": [[-0.01625824, 0.03168284, -0.01112625], [0.01579712, -0.03333574, 0.01234078], [-0.01605192, 0.03439988, -0.01281158], [0.01651304, -0.03274698, 0.01159705]], "stress": [[-16.81695435, 0.43721499, 2.4935576], [0.43715322, -15.44555956, -2.10317513], [2.49711492, -2.10397483, -16.69432423]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Cmcm", "number": 63, "point_group": "mmm", "crystal_system": "orthorhombic", "hall": "-C 2c 2"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 210184.0, "Elapsed time (sec)": 1091.682, "System time (sec)": 14.291, "User time (sec)": 1076.537, "Total CPU time used (sec)": 1090.828, "cores": "64"}, "overall": {"Total CPU time used (sec)": 1090.828, "User time (sec)": 1076.537, "System time (sec)": 14.291, "Elapsed time (sec)": 1091.682}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271198", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a114d948a4f342aa60ae2"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-688144", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.044992871710155376, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 4, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-2.175, -2.181, 2.076, 2.067], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.1, 0.0, 0.0], "genvec2": [-0.0, 0.1, 0.0], "genvec3": [-0.0, 0.0, 0.16666667], "shift": [0.5, 0.5, 0.5], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.05, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, 0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, 0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, 0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, 0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, 0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, -0.45, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, -0.35, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, -0.25, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, -0.15, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.15, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.25, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.35, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.45, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.45, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.35, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.25, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.15, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [-0.05, -0.05, 0.08333333], "weight": 0.00333333}, {"abc": [0.05, 0.05, 0.25], "weight": 0.00333333}, {"abc": [0.15, 0.05, 0.25], "weight": 0.00333333}, {"abc": [0.25, 0.05, 0.25], "weight": 0.00333333}, {"abc": [0.35, 0.05, 0.25], "weight": 0.00333333}, {"abc": [0.45, 0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.45, 0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.35, 0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.25, 0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.15, 0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.05, 0.05, 0.25], "weight": 0.00333333}, {"abc": [0.05, 0.15, 0.25], "weight": 0.00333333}, {"abc": [0.15, 0.15, 0.25], "weight": 0.00333333}, {"abc": [0.25, 0.15, 0.25], "weight": 0.00333333}, {"abc": [0.35, 0.15, 0.25], "weight": 0.00333333}, {"abc": [0.45, 0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.45, 0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.35, 0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.25, 0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.15, 0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.05, 0.15, 0.25], "weight": 0.00333333}, {"abc": [0.05, 0.25, 0.25], "weight": 0.00333333}, {"abc": [0.15, 0.25, 0.25], "weight": 0.00333333}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00333333}, {"abc": [0.35, 0.25, 0.25], "weight": 0.00333333}, {"abc": [0.45, 0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.45, 0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.35, 0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.15, 0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.05, 0.25, 0.25], "weight": 0.00333333}, {"abc": [0.05, 0.35, 0.25], "weight": 0.00333333}, {"abc": [0.15, 0.35, 0.25], "weight": 0.00333333}, {"abc": [0.25, 0.35, 0.25], "weight": 0.00333333}, {"abc": [0.35, 0.35, 0.25], "weight": 0.00333333}, {"abc": [0.45, 0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.45, 0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.35, 0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.25, 0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.15, 0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.05, 0.35, 0.25], "weight": 0.00333333}, {"abc": [0.05, 0.45, 0.25], "weight": 0.00333333}, {"abc": [0.15, 0.45, 0.25], "weight": 0.00333333}, {"abc": [0.25, 0.45, 0.25], "weight": 0.00333333}, {"abc": [0.35, 0.45, 0.25], "weight": 0.00333333}, {"abc": [0.45, 0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.45, 0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.35, 0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.25, 0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.15, 0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.05, 0.45, 0.25], "weight": 0.00333333}, {"abc": [0.05, -0.45, 0.25], "weight": 0.00333333}, {"abc": [0.15, -0.45, 0.25], "weight": 0.00333333}, {"abc": [0.25, -0.45, 0.25], "weight": 0.00333333}, {"abc": [0.35, -0.45, 0.25], "weight": 0.00333333}, {"abc": [0.45, -0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.45, -0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.35, -0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.25, -0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.15, -0.45, 0.25], "weight": 0.00333333}, {"abc": [-0.05, -0.45, 0.25], "weight": 0.00333333}, {"abc": [0.05, -0.35, 0.25], "weight": 0.00333333}, {"abc": [0.15, -0.35, 0.25], "weight": 0.00333333}, {"abc": [0.25, -0.35, 0.25], "weight": 0.00333333}, {"abc": [0.35, -0.35, 0.25], "weight": 0.00333333}, {"abc": [0.45, -0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.45, -0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.35, -0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.25, -0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.15, -0.35, 0.25], "weight": 0.00333333}, {"abc": [-0.05, -0.35, 0.25], "weight": 0.00333333}, {"abc": [0.05, -0.25, 0.25], "weight": 0.00333333}, {"abc": [0.15, -0.25, 0.25], "weight": 0.00333333}, {"abc": [0.25, -0.25, 0.25], "weight": 0.00333333}, {"abc": [0.35, -0.25, 0.25], "weight": 0.00333333}, {"abc": [0.45, -0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.45, -0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.35, -0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.25, -0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.15, -0.25, 0.25], "weight": 0.00333333}, {"abc": [-0.05, -0.25, 0.25], "weight": 0.00333333}, {"abc": [0.05, -0.15, 0.25], "weight": 0.00333333}, {"abc": [0.15, -0.15, 0.25], "weight": 0.00333333}, {"abc": [0.25, -0.15, 0.25], "weight": 0.00333333}, {"abc": [0.35, -0.15, 0.25], "weight": 0.00333333}, {"abc": [0.45, -0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.45, -0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.35, -0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.25, -0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.15, -0.15, 0.25], "weight": 0.00333333}, {"abc": [-0.05, -0.15, 0.25], "weight": 0.00333333}, {"abc": [0.05, -0.05, 0.25], "weight": 0.00333333}, {"abc": [0.15, -0.05, 0.25], "weight": 0.00333333}, {"abc": [0.25, -0.05, 0.25], "weight": 0.00333333}, {"abc": [0.35, -0.05, 0.25], "weight": 0.00333333}, {"abc": [0.45, -0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.45, -0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.35, -0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.25, -0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.15, -0.05, 0.25], "weight": 0.00333333}, {"abc": [-0.05, -0.05, 0.25], "weight": 0.00333333}, {"abc": [0.05, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, 0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, 0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, 0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, 0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, 0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, -0.45, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, -0.35, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, -0.25, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, -0.15, 0.41666667], "weight": 0.00333333}, {"abc": [0.05, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.15, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.25, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.35, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [0.45, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.45, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.35, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.25, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.15, -0.05, 0.41666667], "weight": 0.00333333}, {"abc": [-0.05, -0.05, 0.41666667], "weight": 0.00333333}]}, "nkpoints": 300, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-2.175, -2.181, 2.076, 2.067], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 40, "NGXF": 48, "NGYF": 48, "NGZF": 80, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85873803, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[1.7547944469376289, -0.00021277842534742688, 1.240385993708892], [-0.8775807787761778, 1.5195892239527522, 1.2403850129736138], [-0.47962406539677216, -0.8307330329095652, 0.6781484364844723]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.387029, 0.000245, 1.688539], [-1.193303, 2.067352, 1.68854], [-2.183419, -3.781792, 3.08827]], "a": 2.9238795223789578, "b": 2.9238816106868963, "c": 5.348521370783237, "alpha": 89.99321243425162, "beta": 89.99320981945124, "gamma": 89.97839764575595, "volume": 45.72492017775846}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [6e-05, 6e-05, 0.500974], "xyz": [-1.093764526546, -1.894455409588, 1.54734559972], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.49994, 0.49994, 0.748896], "xyz": [-1.038362378984, -1.798494457452, 4.001129925180001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999966, 0.999966, 0.002382], "xyz": [1.1884845092579999, 2.058518473158, 3.384320438454], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500035, 0.500035, 0.247748], "xyz": [0.05596708999799993, 0.09693946147900023, 2.453770413725], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -33.24295704, "e_wo_entrp": -33.24295704, "e_0_energy": 0.0, "forces": [[0.00353712, 0.00612683, -0.01271372], [-0.00728363, -0.01261573, 0.01801045], [-0.01500552, -0.02599055, 0.01955895], [0.01875204, 0.03247945, -0.02485568]], "stress": [[-1.05182076, -0.09436359, 0.15100262], [-0.09436195, -1.16094843, 0.26152073], [0.15050318, 0.26065525, -0.69568981]], "electronic_steps": [{"alphaZ": 687.3668896, "ewald": -7236.10005518, "hartreedc": -2329.4249163, "XCdc": 287.04444609, "pawpsdc": 7343.37141538, "pawaedc": -7696.44340425, "eentropy": 0.0, "bandstr": -844.73363988, "atom": 9827.56489258, "e_fr_energy": 38.64562803, "e_wo_entrp": 38.64562803, "e_0_energy": 38.64562803}, {"e_fr_energy": -37.98283641, "e_wo_entrp": -37.98283641, "e_0_energy": -37.98283641}, {"e_fr_energy": -38.13467253, "e_wo_entrp": -38.13467253, "e_0_energy": -38.13467253}, {"e_fr_energy": -38.13491326, "e_wo_entrp": -38.13491326, "e_0_energy": -38.13491326}, {"e_fr_energy": -38.13491326, "e_wo_entrp": -38.13491326, "e_0_energy": -38.13491326}, {"e_fr_energy": -33.90445701, "e_wo_entrp": -33.90445701, "e_0_energy": -33.90445701}, {"e_fr_energy": -33.35669779, "e_wo_entrp": -33.35669779, "e_0_energy": -33.35669779}, {"e_fr_energy": -33.32861842, "e_wo_entrp": -33.32861842, "e_0_energy": -33.32861842}, {"e_fr_energy": -33.39107678, "e_wo_entrp": -33.39107678, "e_0_energy": -33.39107678}, {"e_fr_energy": -33.24547519, "e_wo_entrp": -33.24547519, "e_0_energy": -33.24547519}, {"e_fr_energy": -33.24350294, "e_wo_entrp": -33.24350294, "e_0_energy": -33.24350294}, {"e_fr_energy": -33.24325618, "e_wo_entrp": -33.24325618, "e_0_energy": -33.24325618}, {"e_fr_energy": -33.24290894, "e_wo_entrp": -33.24290894, "e_0_energy": -33.24290894}, {"alphaZ": 687.3668896, "ewald": -7236.10005518, "hartreedc": -2183.0272217, "XCdc": 281.33463043, "pawpsdc": 7446.40507865, "pawaedc": -7810.77139352, "eentropy": 0.0, "bandstr": -1046.0157779, "atom": 9827.56489258, "e_fr_energy": -33.24295704, "e_wo_entrp": -33.24295704, "e_0_energy": -33.24295704}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.387029, 0.000245, 1.688539], [-1.193303, 2.067352, 1.68854], [-2.183419, -3.781792, 3.08827]], "a": 2.9238795223789578, "b": 2.9238816106868963, "c": 5.348521370783237, "alpha": 89.99321243425162, "beta": 89.99320981945124, "gamma": 89.97839764575595, "volume": 45.72492017775846}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [6e-05, 6e-05, 0.500974], "xyz": [-1.093764526546, -1.894455409588, 1.54734559972], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.49994, 0.49994, 0.748896], "xyz": [-1.038362378984, -1.798494457452, 4.001129925180001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999966, 0.999966, 0.002382], "xyz": [1.1884845092579999, 2.058518473158, 3.384320438454], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500035, 0.500035, 0.247748], "xyz": [0.05596708999799993, 0.09693946147900023, 2.453770413725], "label": "Fe", "properties": {}}]}}], "efermi": 5.46696495, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.387029, 0.000245, 1.688539], [-1.193303, 2.067352, 1.68854], [-2.183419, -3.781792, 3.08827]], "a": 2.9238795223789578, "b": 2.9238816106868963, "c": 5.348521370783237, "alpha": 89.99321243425162, "beta": 89.99320981945124, "gamma": 89.97839764575595, "volume": 45.72492017775846}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [6e-05, 6e-05, 0.500974], "xyz": [-1.093764526546, -1.894455409588, 1.54734559972], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.49994, 0.49994, 0.748896], "xyz": [-1.038362378984, -1.798494457452, 4.001129925180001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999966, 0.999966, 0.002382], "xyz": [1.1884845092579999, 2.058518473158, 3.384320438454], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500035, 0.500035, 0.247748], "xyz": [0.05596708999799993, 0.09693946147900023, 2.453770413725], "label": "Fe", "properties": {}}]}, "energy": -33.24295704, "energy_per_atom": -8.31073926, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.467, "magnetization": [{"s": -0.021, "p": -0.008, "d": -2.148, "tot": -2.177}, {"s": -0.021, "p": -0.008, "d": -2.149, "tot": -2.178}, {"s": 0.021, "p": 0.008, "d": 2.031, "tot": 2.06}, {"s": 0.021, "p": 0.008, "d": 2.029, "tot": 2.058}], "charge": [{"s": 0.394, "p": 6.393, "d": 6.022, "tot": 12.809}, {"s": 0.394, "p": 6.393, "d": 6.021, "tot": 12.808}, {"s": 0.394, "p": 6.394, "d": 6.035, "tot": 12.824}, {"s": 0.394, "p": 6.394, "d": 6.03, "tot": 12.819}], "total_magnetization": -0.2221717, "nelect": 56.0000017, "is_stopped": false, "drift": [[9.9e-05, 0.000171, -0.000227]], "ngf": [48, 48, 80], "sampling_radii": [0.95], "electrostatic_potential": [-45.5348, -45.5345, -45.5215, -45.5164], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-24-23-52-16-339488/launcher_2020-01-24-23-53-32-688144", "completed_at": "2020-01-24 16:19:07", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2577cedcc0e0f31138bb"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a2577cedcc0e0f31138be"}}], "chemsys": "Fe", "completed_at": "2020-01-24 16:19:07", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 4.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.387029, 0.000245, 1.688539], [-1.193303, 2.067352, 1.68854], [-2.183419, -3.781792, 3.08827]], "a": 2.9238795223789578, "b": 2.9238816106868963, "c": 5.348521370783237, "alpha": 89.99321243425162, "beta": 89.99320981945124, "gamma": 89.97839764575595, "volume": 45.72492017775846}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [6e-05, 6e-05, 0.500974], "xyz": [-1.093764526546, -1.894455409588, 1.54734559972], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.49994, 0.49994, 0.748896], "xyz": [-1.038362378984, -1.798494457452, 4.001129925180001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999966, 0.999966, 0.002382], "xyz": [1.1884845092579999, 2.058518473158, 3.384320438454], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500035, 0.500035, 0.247748], "xyz": [0.05596708999799993, 0.09693946147900023, 2.453770413725], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 56.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-2.175, -2.181, 2.076, 2.067], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 40, "NGXF": 48, "NGYF": 48, "NGZF": 80, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.85873803, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-2.175, -2.181, 2.076, 2.067], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:32:39.731000"}, "nelements": 1, "nsites": 4, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0002, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-2.175, -2.181, 2.076, 2.067], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.387029, 0.000245, 1.688539], [-1.193303, 2.067352, 1.68854], [-2.183419, -3.781792, 3.08827]], "a": 2.9238795223789578, "b": 2.9238816106868963, "c": 5.348521370783237, "alpha": 89.99321243425162, "beta": 89.99320981945124, "gamma": 89.97839764575595, "volume": 45.72492017775846}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [6e-05, 6e-05, 0.500974], "xyz": [-1.093764526546, -1.894455409588, 1.54734559972], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.49994, 0.49994, 0.748896], "xyz": [-1.038362378984, -1.798494457452, 4.001129925180001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999966, 0.999966, 0.002382], "xyz": [1.1884845092579999, 2.058518473158, 3.384320438454], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500035, 0.500035, 0.247748], "xyz": [0.05596708999799993, 0.09693946147900023, 2.453770413725], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe4"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.387029, 0.000245, 1.688539], [-1.193303, 2.067352, 1.68854], [-2.183419, -3.781792, 3.08827]], "a": 2.9238795223789578, "b": 2.9238816106868963, "c": 5.348521370783237, "alpha": 89.99321243425162, "beta": 89.99320981945124, "gamma": 89.97839764575595, "volume": 45.72492017775846}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [6e-05, 6e-05, 0.500974], "xyz": [-1.093764526546, -1.894455409588, 1.54734559972], "label": "Fe", "properties": {"magmom": -2.177}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.49994, 0.49994, 0.748896], "xyz": [-1.038362378984, -1.798494457452, 4.001129925180001], "label": "Fe", "properties": {"magmom": -2.178}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.999966, 0.999966, 0.002382], "xyz": [1.1884845092579999, 2.058518473158, 3.384320438454], "label": "Fe", "properties": {"magmom": 2.06}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.500035, 0.500035, 0.247748], "xyz": [0.05596708999799993, 0.09693946147900023, 2.453770413725], "label": "Fe", "properties": {"magmom": 2.058}}]}, "density": 8.112233095502011, "energy": -33.24295704, "energy_per_atom": -8.31073926, "forces": [[0.00353712, 0.00612683, -0.01271372], [-0.00728363, -0.01261573, 0.01801045], [-0.01500552, -0.02599055, 0.01955895], [0.01875204, 0.03247945, -0.02485568]], "stress": [[-1.05182076, -0.09436359, 0.15100262], [-0.09436195, -1.16094843, 0.26152073], [0.15050318, 0.26065525, -0.69568981]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "I4/mmm", "number": 139, "point_group": "4/mmm", "crystal_system": "tetragonal", "hall": "-I 4 2"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 214964.0, "Elapsed time (sec)": 1521.46, "System time (sec)": 15.819, "User time (sec)": 1504.12, "Total CPU time used (sec)": 1519.939, "cores": "64"}, "overall": {"Total CPU time used (sec)": 1519.939, "User time (sec)": 1504.12, "System time (sec)": 15.819, "Elapsed time (sec)": 1521.46}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271218", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a11e4948a4f342aa61881"}, "dir_name": "cori02.nersc.gov:/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-25-03-22-55-350474/launcher_2020-01-25-03-24-08-425564", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 1.4142135623730952e-08, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.645, 1.645], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[12, 12, 8]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, -0.0, 0.0], "genvec2": [-0.0, 0.08333333, 0.0], "genvec3": [0.0, -0.0, 0.125], "shift": [0.5, 0.5, 0.5], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.04166667, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.125, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.375, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, 0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.125, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.375, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, 0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.125, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.375, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, 0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.125, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.375, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, 0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.125, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.375, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, 0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.125, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.375, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, 0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.125, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.375, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, -0.45833333, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.125, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.375, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, -0.375, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.125, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.375, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, -0.29166667, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.125, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.375, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, -0.20833333, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.125, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.375, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, -0.125, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.125, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.20833333, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.29166667, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.375, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.45833333, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.45833333, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.375, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.29166667, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.20833333, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.125, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [-0.04166667, -0.04166667, 0.0625], "weight": 0.00173611}, {"abc": [0.04166667, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.125, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.375, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, 0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.125, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.375, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, 0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.125, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.375, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, 0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.125, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.375, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, 0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.125, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.375, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, 0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.125, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.375, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, 0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.125, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.375, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, -0.45833333, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.125, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.375, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, -0.375, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.125, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.375, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, -0.29166667, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.125, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.375, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, -0.20833333, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.125, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.375, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, -0.125, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.125, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.20833333, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.29166667, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.375, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.45833333, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.45833333, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.375, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.29166667, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.20833333, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.125, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [-0.04166667, -0.04166667, 0.1875], "weight": 0.00173611}, {"abc": [0.04166667, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.125, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.375, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, 0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.125, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.375, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, 0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.125, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.375, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, 0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.125, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.375, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, 0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.125, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.375, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, 0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.125, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.375, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, 0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.125, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.375, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, -0.45833333, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.125, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.375, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, -0.375, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.125, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.375, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, -0.29166667, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.125, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.375, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, -0.20833333, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.125, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.375, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, -0.125, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.125, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.20833333, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.29166667, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.375, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.45833333, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.45833333, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.375, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.29166667, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.20833333, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.125, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [-0.04166667, -0.04166667, 0.3125], "weight": 0.00173611}, {"abc": [0.04166667, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.125, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.375, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, 0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.125, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.375, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, 0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.125, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.375, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, 0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.125, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.375, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, 0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.125, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.375, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, 0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.125, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.375, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, 0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.125, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.375, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, -0.45833333, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.125, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.375, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, -0.375, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.125, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.375, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, -0.29166667, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.125, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.375, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, -0.20833333, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.125, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.375, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, -0.125, 0.4375], "weight": 0.00173611}, {"abc": [0.04166667, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.125, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.20833333, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.29166667, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.375, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [0.45833333, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.45833333, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.375, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.29166667, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.20833333, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.125, -0.04166667, 0.4375], "weight": 0.00173611}, {"abc": [-0.04166667, -0.04166667, 0.4375], "weight": 0.00173611}]}, "nkpoints": 576, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.645, 1.645], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 28, "NGXF": 36, "NGYF": 36, "NGZF": 56, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.53218675, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.330702267956059, 0.3970753936488155, -1.0663092666653549], [-0.8218899445185813, 2.2162643418423147, -1.0674858831223093], [0.4892792190948514, 0.8466549919315155, 1.3829163501118749]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74177322, "e_wo_entrp": -16.74177322, "e_0_energy": 0.0, "forces": [[1e-08, 1e-08, -0.0], [-1e-08, -1e-08, 0.0]], "stress": [[0.012352, 2.19086238, -0.897095], [2.1908587, 0.95458997, -3.4975545], [-0.89702788, -3.49748706, 0.17500442]], "electronic_steps": [{"alphaZ": 360.86456198, "ewald": -3677.49117135, "hartreedc": -1132.99686707, "XCdc": 143.56755506, "pawpsdc": 3672.01709151, "pawaedc": -3848.58435193, "eentropy": 0.0, "bandstr": -442.71824767, "atom": 4913.78244629, "e_fr_energy": -11.55898318, "e_wo_entrp": -11.55898318, "e_0_energy": -11.55898318}, {"e_fr_energy": -19.48936255, "e_wo_entrp": -19.48936255, "e_0_energy": -19.48936255}, {"e_fr_energy": -19.49144683, "e_wo_entrp": -19.49144683, "e_0_energy": -19.49144683}, {"e_fr_energy": -19.49144692, "e_wo_entrp": -19.49144692, "e_0_energy": -19.49144692}, {"e_fr_energy": -19.49144692, "e_wo_entrp": -19.49144692, "e_0_energy": -19.49144692}, {"e_fr_energy": -17.08493608, "e_wo_entrp": -17.08493608, "e_0_energy": -17.08493608}, {"e_fr_energy": -16.76198444, "e_wo_entrp": -16.76198444, "e_0_energy": -16.76198444}, {"e_fr_energy": -16.74054712, "e_wo_entrp": -16.74054712, "e_0_energy": -16.74054712}, {"e_fr_energy": -16.74131261, "e_wo_entrp": -16.74131261, "e_0_energy": -16.74131261}, {"e_fr_energy": -16.74162511, "e_wo_entrp": -16.74162511, "e_0_energy": -16.74162511}, {"e_fr_energy": -16.74174546, "e_wo_entrp": -16.74174546, "e_0_energy": -16.74174546}, {"alphaZ": 360.86456198, "ewald": -3677.49117135, "hartreedc": -1057.78020501, "XCdc": 140.46000704, "pawpsdc": 3747.78878134, "pawaedc": -3929.45184283, "eentropy": 0.0, "bandstr": -514.91435069, "atom": 4913.78244629, "e_fr_energy": -16.74177322, "e_wo_entrp": -16.74177322, "e_0_energy": -16.74177322}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}], "efermi": 5.92227194, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "energy": -16.74177322, "energy_per_atom": -8.37088661, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9223, "magnetization": [{"s": -0.021, "p": -0.035, "d": -1.58, "tot": -1.635}, {"s": 0.021, "p": 0.035, "d": 1.578, "tot": 1.634}], "charge": [{"s": 0.407, "p": 6.429, "d": 6.051, "tot": 12.887}, {"s": 0.407, "p": 6.429, "d": 6.055, "tot": 12.891}], "total_magnetization": 0.0002904, "nelect": 28.0000061, "is_stopped": false, "drift": [[-0.0, -0.0, 0.0]], "ngf": [36, 36, 56], "sampling_radii": [0.95], "electrostatic_potential": [-45.258, -45.262], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/rsking84/production-scan/data/mag-order-recompute-v2/block_2020-01-25-03-22-55-350474/launcher_2020-01-25-03-24-08-425564", "completed_at": "2020-01-24 19:59:37", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a25a0cedcc0e0f3113904"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5e4a25a0cedcc0e0f3113907"}}], "chemsys": "Fe", "completed_at": "2020-01-24 19:59:37", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [-1.645, 1.645], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 28, "NGXF": 36, "NGYF": 36, "NGZF": 56, "ADDGRID": false, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": -0.05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.53218675, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "EDIFFG": -0.05, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [-1.645, 1.645], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-02-17 05:33:20.228000"}, "nelements": 1, "nsites": 2, "orig_inputs": {"potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "incar": {"ALGO": "Normal", "EDIFF": 0.0001, "EDIFFG": -0.05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "KPOINT_BSE": "-1 0 0 0", "LAECHG": true, "LASPH": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [-1.645, 1.645], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [1.0, 1.0, 1.0], "xyz": [2.457739, 4.259867, 1.0658830000000001], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[12, 12, 8]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.1889, 0.338815, -0.981869], [-0.800792, 2.065459, -0.981202], [1.069631, 1.855593, 3.028954]], "a": 2.4228383246485925, "b": 2.4228384330675046, "c": 3.7097032484992654, "alpha": 89.97396837147922, "beta": 90.0256134825567, "gamma": 90.87490311811025, "volume": 21.77395584881966}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.2288695, 2.1299335, 0.5329415000000001], "label": "Fe", "properties": {"magmom": -1.635}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 1.634}}]}, "density": 8.51777263926315, "energy": -16.74177322, "energy_per_atom": -8.37088661, "forces": [[1e-08, 1e-08, -0.0], [-1e-08, -1e-08, 0.0]], "stress": [[0.012352, 2.19086238, -0.897095], [2.1908587, 0.95458997, -3.4975545], [-0.89702788, -3.49748706, 0.17500442]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "I4/mmm", "number": 139, "point_group": "4/mmm", "crystal_system": "tetragonal", "hall": "-I 4 2"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 212432.0, "Elapsed time (sec)": 2116.893, "System time (sec)": 22.102, "User time (sec)": 2092.763, "Total CPU time used (sec)": 2114.865, "cores": "64"}, "overall": {"Total CPU time used (sec)": 2114.865, "User time (sec)": 2092.763, "System time (sec)": 22.102, "Elapsed time (sec)": 2116.893}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["mag-order-recompute-v2", "mp_2020", "prod"], "task_id": "mp-1271230", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eadcd213f7551cd85c272a0"}, "dir_name": "cori04:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-10-13-00-03-37-009518/launcher_2019-10-13-16-20-05-161023", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.7999990588924616, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 28, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0014, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[3, 3, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.33333333, 0.0, 0.0], "genvec2": [0.0, 0.33333333, 0.0], "genvec3": [0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.01851852}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.07407407}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.07407407}, {"abc": [0.0, 0.0, 0.16666667], "weight": 0.03703704}, {"abc": [0.33333333, 0.0, 0.16666667], "weight": 0.14814815}, {"abc": [0.33333333, 0.33333333, 0.16666667], "weight": 0.14814815}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.03703704}, {"abc": [0.33333333, 0.0, 0.33333333], "weight": 0.14814815}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.14814815}, {"abc": [0.0, 0.0, 0.5], "weight": 0.01851852}, {"abc": [0.33333333, 0.0, 0.5], "weight": 0.07407407}, {"abc": [0.33333333, 0.33333333, 0.5], "weight": 0.07407407}]}, "nkpoints": 12, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0014, "IALGO": 38, "IWAVPR": 10, "NBANDS": 320, "NELECT": 392.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.09e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 64, "NGY": 64, "NGZ": 36, "NGXF": 128, "NGYF": 128, "NGZF": 72, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.014, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 16, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.28009747, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[0.7290853430759515, 0.0, 0.0], [0.0, 0.7290853430759515, 0.0], [0.0, 0.0, 1.3735323567790088]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -223.19091132, "e_wo_entrp": -223.19091132, "e_0_energy": 0.0, "forces": [[0.19556237, -0.19556237, 0.0], [-0.19556237, 0.19556237, 0.0], [0.19556237, 0.19556237, 0.0], [-0.19556237, -0.19556237, 0.0], [0.489641, -0.63265329, 0.0], [-0.489641, 0.63265329, 0.0], [0.489641, 0.63265329, 0.0], [-0.489641, -0.63265329, 0.0], [-0.63265329, 0.489641, 0.0], [0.63265329, -0.489641, 0.0], [0.63265329, 0.489641, 0.0], [-0.63265329, -0.489641, 0.0], [-0.14014654, -0.11270482, 0.0], [0.14014654, 0.11270482, 0.0], [-0.14014654, 0.11270482, 0.0], [0.14014654, -0.11270482, 0.0], [-0.11270482, -0.14014654, 0.0], [0.11270482, 0.14014654, 0.0], [0.11270482, -0.14014654, 0.0], [-0.11270482, 0.14014654, 0.0], [-0.05742552, 0.05742552, 0.09748665], [0.05742552, -0.05742552, 0.09748665], [-0.05742552, -0.05742552, 0.09748665], [0.05742552, 0.05742552, 0.09748665], [0.05742552, -0.05742552, -0.09748665], [-0.05742552, 0.05742552, -0.09748665], [0.05742552, 0.05742552, -0.09748665], [-0.05742552, -0.05742552, -0.09748665]], "stress": [[-290.1314347, -0.0, 0.0], [0.0, -290.1314347, 0.0], [0.0, 0.0, -227.1601744]], "electronic_steps": [{"alphaZ": 4533.0829823, "ewald": -48999.61049675, "hartreedc": -977.39663233, "XCdc": 1293.23616596, "pawpsdc": 21804.43958423, "pawaedc": -22375.83074227, "eentropy": 0.0, "bandstr": -38102.34674663, "atom": 68792.95424805, "e_fr_energy": -14031.47163744, "e_wo_entrp": -14031.47163744, "e_0_energy": -14031.47163744}, {"e_fr_energy": -18161.22271339, "e_wo_entrp": -18161.22271339, "e_0_energy": -18161.22271339}, {"e_fr_energy": -18565.44514929, "e_wo_entrp": -18565.44514929, "e_0_energy": -18565.44514929}, {"e_fr_energy": -18580.31490653, "e_wo_entrp": -18580.31490653, "e_0_energy": -18580.31490653}, {"e_fr_energy": -18581.32150457, "e_wo_entrp": -18581.32150457, "e_0_energy": -18581.32150457}, {"e_fr_energy": -5205.81357546, "e_wo_entrp": -5205.81357546, "e_0_energy": -5205.81357546}, {"e_fr_energy": -2015.72899064, "e_wo_entrp": -2015.72899064, "e_0_energy": -2015.72899064}, {"e_fr_energy": -1181.40843964, "e_wo_entrp": -1181.40843964, "e_0_energy": -1181.40843964}, {"e_fr_energy": -607.02685997, "e_wo_entrp": -607.02685997, "e_0_energy": -607.02685997}, {"e_fr_energy": -452.89328629, "e_wo_entrp": -452.89328629, "e_0_energy": -452.89328629}, {"e_fr_energy": -589.63598825, "e_wo_entrp": -589.63598825, "e_0_energy": -589.63598825}, {"e_fr_energy": -328.07810044, "e_wo_entrp": -328.07810044, "e_0_energy": -328.07810044}, {"e_fr_energy": -274.58264508, "e_wo_entrp": -274.58264508, "e_0_energy": -274.58264508}, {"e_fr_energy": -322.81911825, "e_wo_entrp": -322.81911825, "e_0_energy": -322.81911825}, {"e_fr_energy": -240.62798469, "e_wo_entrp": -240.62798469, "e_0_energy": -240.62798469}, {"e_fr_energy": -231.01632798, "e_wo_entrp": -231.01632798, "e_0_energy": -231.01632798}, {"e_fr_energy": -233.72803785, "e_wo_entrp": -233.72803785, "e_0_energy": -233.72803785}, {"e_fr_energy": -223.59614724, "e_wo_entrp": -223.59614724, "e_0_energy": -223.59614724}, {"e_fr_energy": -223.2900473, "e_wo_entrp": -223.2900473, "e_0_energy": -223.2900473}, {"e_fr_energy": -223.33952236, "e_wo_entrp": -223.33952236, "e_0_energy": -223.33952236}, {"e_fr_energy": -223.26530224, "e_wo_entrp": -223.26530224, "e_0_energy": -223.26530224}, {"e_fr_energy": -223.20725909, "e_wo_entrp": -223.20725909, "e_0_energy": -223.20725909}, {"e_fr_energy": -223.26345862, "e_wo_entrp": -223.26345862, "e_0_energy": -223.26345862}, {"e_fr_energy": -223.19736496, "e_wo_entrp": -223.19736496, "e_0_energy": -223.19736496}, {"e_fr_energy": -223.20472072, "e_wo_entrp": -223.20472072, "e_0_energy": -223.20472072}, {"e_fr_energy": -223.20995351, "e_wo_entrp": -223.20995351, "e_0_energy": -223.20995351}, {"e_fr_energy": -223.23551321, "e_wo_entrp": -223.23551321, "e_0_energy": -223.23551321}, {"e_fr_energy": -223.20616667, "e_wo_entrp": -223.20616667, "e_0_energy": -223.20616667}, {"e_fr_energy": -223.19138294, "e_wo_entrp": -223.19138294, "e_0_energy": -223.19138294}, {"alphaZ": 4533.0829823, "ewald": -48999.61049675, "hartreedc": -16441.04006328, "XCdc": 1950.05033106, "pawpsdc": 51965.90521875, "pawaedc": -54485.59537592, "eentropy": 0.0, "bandstr": -7538.93775553, "atom": 68792.95424805, "e_fr_energy": -223.19091132, "e_wo_entrp": -223.19091132, "e_0_energy": -223.19091132}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {}}]}}], "efermi": 4.74538718, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {}}]}, "energy": -223.19091132, "energy_per_atom": -7.971103975714286, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 4.7454, "magnetization": [{"s": -0.0, "p": 0.0, "d": 0.004, "tot": 0.004}, {"s": -0.0, "p": 0.0, "d": 0.004, "tot": 0.004}, {"s": -0.0, "p": -0.0, "d": 0.001, "tot": 0.001}, {"s": -0.0, "p": -0.0, "d": 0.001, "tot": 0.001}, {"s": 0.0, "p": -0.0, "d": 0.029, "tot": 0.029}, {"s": 0.0, "p": -0.0, "d": 0.029, "tot": 0.029}, {"s": 0.0, "p": -0.0, "d": 0.029, "tot": 0.029}, {"s": 0.0, "p": -0.0, "d": 0.029, "tot": 0.029}, {"s": 0.0, "p": -0.0, "d": 0.031, "tot": 0.031}, {"s": 0.0, "p": -0.0, "d": 0.031, "tot": 0.031}, {"s": 0.0, "p": -0.0, "d": 0.03, "tot": 0.03}, {"s": 0.0, "p": -0.0, "d": 0.03, "tot": 0.03}, {"s": -0.0, "p": -0.0, "d": 0.011, "tot": 0.011}, {"s": -0.0, "p": -0.0, "d": 0.011, "tot": 0.011}, {"s": 0.0, "p": -0.0, "d": 0.011, "tot": 0.01}, {"s": 0.0, "p": -0.0, "d": 0.011, "tot": 0.01}, {"s": -0.0, "p": -0.0, "d": 0.011, "tot": 0.011}, {"s": -0.0, "p": -0.0, "d": 0.011, "tot": 0.011}, {"s": 0.0, "p": -0.0, "d": 0.011, "tot": 0.011}, {"s": 0.0, "p": -0.0, "d": 0.011, "tot": 0.011}, {"s": -0.0, "p": -0.0, "d": -0.018, "tot": -0.018}, {"s": -0.0, "p": -0.0, "d": -0.016, "tot": -0.017}, {"s": -0.0, "p": -0.0, "d": -0.023, "tot": -0.023}, {"s": -0.0, "p": -0.0, "d": -0.022, "tot": -0.023}, {"s": -0.0, "p": -0.0, "d": -0.018, "tot": -0.018}, {"s": -0.0, "p": -0.0, "d": -0.016, "tot": -0.017}, {"s": -0.0, "p": -0.0, "d": -0.023, "tot": -0.023}, {"s": -0.0, "p": -0.0, "d": -0.022, "tot": -0.023}], "charge": [{"s": 0.359, "p": 6.308, "d": 5.995, "tot": 12.661}, {"s": 0.359, "p": 6.308, "d": 5.995, "tot": 12.661}, {"s": 0.358, "p": 6.309, "d": 6.031, "tot": 12.698}, {"s": 0.358, "p": 6.309, "d": 6.031, "tot": 12.698}, {"s": 0.356, "p": 6.345, "d": 6.047, "tot": 12.748}, {"s": 0.356, "p": 6.345, "d": 6.047, "tot": 12.748}, {"s": 0.356, "p": 6.346, "d": 6.049, "tot": 12.751}, {"s": 0.356, "p": 6.346, "d": 6.049, "tot": 12.751}, {"s": 0.356, "p": 6.346, "d": 6.006, "tot": 12.708}, {"s": 0.356, "p": 6.346, "d": 6.006, "tot": 12.708}, {"s": 0.356, "p": 6.346, "d": 6.008, "tot": 12.711}, {"s": 0.356, "p": 6.346, "d": 6.008, "tot": 12.711}, {"s": 0.378, "p": 6.349, "d": 6.058, "tot": 12.785}, {"s": 0.378, "p": 6.349, "d": 6.058, "tot": 12.785}, {"s": 0.377, "p": 6.35, "d": 6.027, "tot": 12.754}, {"s": 0.377, "p": 6.35, "d": 6.027, "tot": 12.754}, {"s": 0.379, "p": 6.352, "d": 6.112, "tot": 12.842}, {"s": 0.379, "p": 6.352, "d": 6.112, "tot": 12.842}, {"s": 0.378, "p": 6.352, "d": 6.081, "tot": 12.812}, {"s": 0.378, "p": 6.352, "d": 6.081, "tot": 12.812}, {"s": 0.399, "p": 6.385, "d": 6.079, "tot": 12.862}, {"s": 0.398, "p": 6.384, "d": 6.042, "tot": 12.824}, {"s": 0.399, "p": 6.385, "d": 6.134, "tot": 12.919}, {"s": 0.398, "p": 6.384, "d": 6.03, "tot": 12.812}, {"s": 0.399, "p": 6.385, "d": 6.079, "tot": 12.862}, {"s": 0.398, "p": 6.384, "d": 6.042, "tot": 12.824}, {"s": 0.399, "p": 6.385, "d": 6.134, "tot": 12.919}, {"s": 0.398, "p": 6.384, "d": 6.03, "tot": 12.812}], "total_magnetization": 0.0736473, "nelect": 392.0000019, "is_stopped": false, "drift": [[0.0, 0.0, 0.0]], "ngf": [128, 128, 72], "sampling_radii": [0.95], "electrostatic_potential": [-46.1708, -46.1708, -46.1708, -46.1708, -46.2594, -46.2594, -46.2594, -46.2594, -46.2594, -46.2594, -46.2594, -46.2594, -46.2424, -46.2424, -46.2424, -46.2424, -46.2424, -46.2424, -46.2424, -46.2424, -46.3649, -46.3649, -46.3649, -46.3649, -46.3649, -46.3649, -46.3649, -46.3649], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 28.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-10-13-00-03-37-009518/launcher_2019-10-13-16-20-05-161023", "completed_at": "2019-10-13 09:53:00", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eadcd2142af31a84016b489"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eadcd2142af31a84016b48c"}}], "chemsys": "Fe", "completed_at": "2019-10-13 09:53:00", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 28.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0014, "IALGO": 38, "IWAVPR": 10, "NBANDS": 320, "NELECT": 392.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.09e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 64, "NGY": 64, "NGZ": 36, "NGXF": 128, "NGYF": 128, "NGZF": 72, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.014, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 16, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.28009747, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0014, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:42:25.851000"}, "nelements": 1, "nsites": 28, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0014, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0, 5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe28"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[3, 3, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[8.617901, 0.0, 0.0], [0.0, 8.617901, 0.0], [0.0, 0.0, 4.574472]], "a": 8.617901, "b": 8.617901, "c": 4.574472, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 339.7378821106226}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.904908, 0.095092, 0.5], "xyz": [7.798407558108, 0.8194934418919999, 2.287236], "label": "Fe", "properties": {"magmom": 0.004}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.095092, 0.904908, 0.5], "xyz": [0.8194934418919999, 7.798407558108, 2.287236], "label": "Fe", "properties": {"magmom": 0.004}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.404908, 0.404908, 0.0], "xyz": [3.489457058108, 3.489457058108, 0.0], "label": "Fe", "properties": {"magmom": 0.001}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.595092, 0.595092, 0.0], "xyz": [5.128443941892, 5.128443941892, 0.0], "label": "Fe", "properties": {"magmom": 0.001}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.980907, 0.366757, 0.5], "xyz": [8.453359416207, 3.160675517057, 2.287236], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.019093, 0.633243, 0.5], "xyz": [0.164541583793, 5.457225482943, 2.287236], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.480907, 0.133243, 0.0], "xyz": [4.1444089162069995, 1.148274982943, 0.0], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.519093, 0.866757, 0.0], "xyz": [4.473492083793, 7.469626017057, 0.0], "label": "Fe", "properties": {"magmom": 0.029}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.366757, 0.980907, 0.5], "xyz": [3.160675517057, 8.453359416207, 2.287236], "label": "Fe", "properties": {"magmom": 0.031}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.633243, 0.019093, 0.5], "xyz": [5.457225482943, 0.164541583793, 2.287236], "label": "Fe", "properties": {"magmom": 0.031}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.133243, 0.480907, 0.0], "xyz": [1.148274982943, 4.1444089162069995, 0.0], "label": "Fe", "properties": {"magmom": 0.03}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.866757, 0.519093, 0.0], "xyz": [7.469626017057, 4.473492083793, 0.0], "label": "Fe", "properties": {"magmom": 0.03}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.270736, 0.468578, 0.5], "xyz": [2.3331760451359997, 4.038158814778, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.729264, 0.531422, 0.5], "xyz": [6.284724954864, 4.579742185221999, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.770736, 0.031422, 0.0], "xyz": [6.642126545136, 0.270791685222, 0.0], "label": "Fe", "properties": {"magmom": 0.01}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.229264, 0.968578, 0.0], "xyz": [1.975774454864, 8.347109314778, 0.0], "label": "Fe", "properties": {"magmom": 0.01}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.468578, 0.270736, 0.5], "xyz": [4.038158814778, 2.3331760451359997, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.531422, 0.729264, 0.5], "xyz": [4.579742185221999, 6.284724954864, 2.287236], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.031422, 0.770736, 0.0], "xyz": [0.270791685222, 6.642126545136, 0.0], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.968578, 0.229264, 0.0], "xyz": [8.347109314778, 1.975774454864, 0.0], "label": "Fe", "properties": {"magmom": 0.011}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.245616], "xyz": [6.165142960588, 2.4527580394119997, 1.123563514752], "label": "Fe", "properties": {"magmom": -0.018}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.245616], "xyz": [2.4527580394119997, 6.165142960588, 1.123563514752], "label": "Fe", "properties": {"magmom": -0.017}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.745616], "xyz": [1.856192460588, 1.856192460588, 3.4107995147519996], "label": "Fe", "properties": {"magmom": -0.023}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.745616], "xyz": [6.761708539412, 6.761708539412, 3.4107995147519996], "label": "Fe", "properties": {"magmom": -0.023}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.284612, 0.715388, 0.754384], "xyz": [2.4527580394119997, 6.165142960588, 3.4509084852480005], "label": "Fe", "properties": {"magmom": -0.018}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.715388, 0.284612, 0.754384], "xyz": [6.165142960588, 2.4527580394119997, 3.4509084852480005], "label": "Fe", "properties": {"magmom": -0.017}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.784612, 0.784612, 0.254384], "xyz": [6.761708539412, 6.761708539412, 1.163672485248], "label": "Fe", "properties": {"magmom": -0.023}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.215388, 0.215388, 0.254384], "xyz": [1.856192460588, 1.856192460588, 1.163672485248], "label": "Fe", "properties": {"magmom": -0.023}}]}, "density": 7.642711200614063, "energy": -223.19091132, "energy_per_atom": -7.971103975714286, "forces": [[0.19556237, -0.19556237, 0.0], [-0.19556237, 0.19556237, 0.0], [0.19556237, 0.19556237, 0.0], [-0.19556237, -0.19556237, 0.0], [0.489641, -0.63265329, 0.0], [-0.489641, 0.63265329, 0.0], [0.489641, 0.63265329, 0.0], [-0.489641, -0.63265329, 0.0], [-0.63265329, 0.489641, 0.0], [0.63265329, -0.489641, 0.0], [0.63265329, 0.489641, 0.0], [-0.63265329, -0.489641, 0.0], [-0.14014654, -0.11270482, 0.0], [0.14014654, 0.11270482, 0.0], [-0.14014654, 0.11270482, 0.0], [0.14014654, -0.11270482, 0.0], [-0.11270482, -0.14014654, 0.0], [0.11270482, 0.14014654, 0.0], [0.11270482, -0.14014654, 0.0], [-0.11270482, 0.14014654, 0.0], [-0.05742552, 0.05742552, 0.09748665], [0.05742552, -0.05742552, 0.09748665], [-0.05742552, -0.05742552, 0.09748665], [0.05742552, 0.05742552, 0.09748665], [0.05742552, -0.05742552, -0.09748665], [-0.05742552, 0.05742552, -0.09748665], [0.05742552, 0.05742552, -0.09748665], [-0.05742552, -0.05742552, -0.09748665]], "stress": [[-290.1314347, -0.0, 0.0], [0.0, -290.1314347, 0.0], [0.0, 0.0, -227.1601744]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "P4_2/mnm", "number": 136, "point_group": "4/mmm", "crystal_system": "tetragonal", "hall": "-P 4n 2n"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 350956.0, "Elapsed time (sec)": 1953.737, "System time (sec)": 28.765, "User time (sec)": 1920.506, "Total CPU time used (sec)": 1949.271, "cores": "16"}, "overall": {"Total CPU time used (sec)": 1949.271, "User time (sec)": 1920.506, "System time (sec)": 28.765, "Elapsed time (sec)": 1953.737}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1372063", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eadcf4e3f7551cd85c2b2ba"}, "dir_name": "cori05:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-10-03-18-23-11-130759/launcher_2019-10-04-04-29-40-244297", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, 0.0, 0.0], "genvec2": [0.0, 0.08333333, 0.0], "genvec3": [0.0, 0.0, 0.08333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.16666667, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.25, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.41666667, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00173611}, {"abc": [0.08333333, 0.08333333, 0.0], "weight": 0.00694444}, {"abc": [0.16666667, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.5, 0.08333333, 0.0], "weight": 0.00694444}, {"abc": [0.16666667, 0.16666667, 0.0], "weight": 0.00694444}, {"abc": [0.25, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [0.5, 0.16666667, 0.0], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.25, 0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.25, 0.0], "weight": 0.01388889}, {"abc": [0.5, 0.25, 0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.33333333, 0.0], "weight": 0.01388889}, {"abc": [0.5, 0.33333333, 0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.41666667, 0.0], "weight": 0.00694444}, {"abc": [0.5, 0.41666667, 0.0], "weight": 0.00694444}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00173611}, {"abc": [0.08333333, 0.08333333, 0.08333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.08333333, 0.08333333], "weight": 0.00694444}, {"abc": [0.16666667, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.33333333, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.41666667, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.5, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [0.41666667, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [0.5, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [0.5, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.08333333], "weight": 0.00347222}, {"abc": [0.16666667, 0.16666667, 0.16666667], "weight": 0.00462963}, {"abc": [0.25, 0.16666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.5, 0.16666667, 0.16666667], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.16666667], "weight": 0.02777778}, {"abc": [0.41666667, 0.25, 0.16666667], "weight": 0.02777778}, {"abc": [0.5, 0.25, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [0.41666667, 0.33333333, 0.16666667], "weight": 0.02777778}, {"abc": [0.5, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [0.41666667, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.5, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.16666667], "weight": 0.00347222}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00462963}, {"abc": [0.33333333, 0.25, 0.25], "weight": 0.01388889}, {"abc": [0.41666667, 0.25, 0.25], "weight": 0.01388889}, {"abc": [0.5, 0.25, 0.25], "weight": 0.00694444}, {"abc": [0.33333333, 0.33333333, 0.25], "weight": 0.01388889}, {"abc": [0.41666667, 0.33333333, 0.25], "weight": 0.02777778}, {"abc": [0.5, 0.33333333, 0.25], "weight": 0.01388889}, {"abc": [0.41666667, 0.41666667, 0.25], "weight": 0.01388889}, {"abc": [0.5, 0.41666667, 0.25], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.25], "weight": 0.00347222}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.00462963}, {"abc": [0.41666667, 0.33333333, 0.33333333], "weight": 0.01388889}, {"abc": [0.5, 0.33333333, 0.33333333], "weight": 0.00694444}, {"abc": [0.41666667, 0.41666667, 0.33333333], "weight": 0.01388889}, {"abc": [0.5, 0.41666667, 0.33333333], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.33333333], "weight": 0.00347222}, {"abc": [0.41666667, 0.41666667, 0.41666667], "weight": 0.00462963}, {"abc": [0.5, 0.41666667, 0.41666667], "weight": 0.00694444}, {"abc": [0.5, 0.5, 0.41666667], "weight": 0.00347222}, {"abc": [0.5, 0.5, 0.5], "weight": 0.0005787}]}, "nkpoints": 84, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 16, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 16, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.04462403, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.644813387748846, 0.0, 0.0], [0.0, 2.644813387748846, 0.0], [0.0, 0.0, 2.644813387748846]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -7.70860905, "e_wo_entrp": -7.70860905, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0]], "stress": [[-5.75089075, 0.0, 0.0], [0.0, -5.75089075, 0.0], [-0.0, 0.0, -5.75089075]], "electronic_steps": [{"alphaZ": 146.50993659, "ewald": -1685.39689386, "hartreedc": -37.90774731, "XCdc": 46.69130554, "pawpsdc": 534.37725203, "pawaedc": -546.37639413, "eentropy": 0.0, "bandstr": -1760.79122927, "atom": 2456.89122314, "e_fr_energy": -846.00254725, "e_wo_entrp": -846.00254725, "e_0_energy": -846.00254725}, {"e_fr_energy": -852.39998397, "e_wo_entrp": -852.39998397, "e_0_energy": -852.39998397}, {"e_fr_energy": -852.57583823, "e_wo_entrp": -852.57583823, "e_0_energy": -852.57583823}, {"e_fr_energy": -852.579218, "e_wo_entrp": -852.579218, "e_0_energy": -852.579218}, {"e_fr_energy": -852.57928896, "e_wo_entrp": -852.57928896, "e_0_energy": -852.57928896}, {"e_fr_energy": -216.07010197, "e_wo_entrp": -216.07010197, "e_0_energy": -216.07010197}, {"e_fr_energy": -168.35850353, "e_wo_entrp": -168.35850353, "e_0_energy": -168.35850353}, {"e_fr_energy": -20.00883987, "e_wo_entrp": -20.00883987, "e_0_energy": -20.00883987}, {"e_fr_energy": -10.41017788, "e_wo_entrp": -10.41017788, "e_0_energy": -10.41017788}, {"e_fr_energy": -40.89855103, "e_wo_entrp": -40.89855103, "e_0_energy": -40.89855103}, {"e_fr_energy": -7.6366268, "e_wo_entrp": -7.6366268, "e_0_energy": -7.6366268}, {"e_fr_energy": -7.71228008, "e_wo_entrp": -7.71228008, "e_0_energy": -7.71228008}, {"e_fr_energy": -7.70512286, "e_wo_entrp": -7.70512286, "e_0_energy": -7.70512286}, {"e_fr_energy": -7.71413776, "e_wo_entrp": -7.71413776, "e_0_energy": -7.71413776}, {"e_fr_energy": -7.7093082, "e_wo_entrp": -7.7093082, "e_0_energy": -7.7093082}, {"e_fr_energy": -7.70904771, "e_wo_entrp": -7.70904771, "e_0_energy": -7.70904771}, {"e_fr_energy": -7.70918613, "e_wo_entrp": -7.70918613, "e_0_energy": -7.70918613}, {"e_fr_energy": -7.70868623, "e_wo_entrp": -7.70868623, "e_0_energy": -7.70868623}, {"e_fr_energy": -7.70861984, "e_wo_entrp": -7.70861984, "e_0_energy": -7.70861984}, {"alphaZ": 146.50993659, "ewald": -1685.39689386, "hartreedc": -629.21193675, "XCdc": 70.39945216, "pawpsdc": 1861.43061702, "pawaedc": -1952.10880361, "eentropy": 0.0, "bandstr": -276.22220375, "atom": 2456.89122314, "e_fr_energy": -7.70860905, "e_wo_entrp": -7.70860905, "e_0_energy": -7.70860905}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {}}]}}], "efermi": 4.15188552, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {}}]}, "energy": -7.70860905, "energy_per_atom": -7.70860905, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 4.1519, "magnetization": [{"s": -0.006, "p": 0.006, "d": -2.41, "tot": -2.41}], "charge": [{"s": 0.396, "p": 6.287, "d": 6.091, "tot": 12.774}], "total_magnetization": -2.4121917, "nelect": 13.9999999, "is_stopped": false, "drift": [[0.0, -0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-46.553], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-10-03-18-23-11-130759/launcher_2019-10-04-04-29-40-244297", "completed_at": "2019-10-03 21:31:25", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eadcf4e7514afe4bb1fb795"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eadcf4e7514afe4bb1fb798"}}], "chemsys": "Fe", "completed_at": "2019-10-03 21:31:25", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 16, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 7.8e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 16, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.04462403, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 19:51:42.702000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.375663, 0.0, 0.0], [0.0, 2.375663, 0.0], [0.0, 0.0, 2.375663]], "a": 2.375663, "b": 2.375663, "c": 2.375663, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 13.407706710345558}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.5, 0.5, 0.5], "xyz": [1.1878315, 1.1878315, 1.1878315], "label": "Fe", "properties": {"magmom": -2.41}}]}, "density": 6.916380718764021, "energy": -7.70860905, "energy_per_atom": -7.70860905, "forces": [[0.0, 0.0, 0.0]], "stress": [[-5.75089075, 0.0, 0.0], [0.0, -5.75089075, 0.0], [-0.0, 0.0, -5.75089075]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Pm-3m", "number": 221, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-P 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 211588.0, "Elapsed time (sec)": 92.784, "System time (sec)": 2.984, "User time (sec)": 89.306, "Total CPU time used (sec)": 92.289, "cores": "16"}, "overall": {"Total CPU time used (sec)": 92.289, "User time (sec)": 89.306, "System time (sec)": 2.984, "Elapsed time (sec)": 92.784}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1382255", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead050c3f7551cd85a99051"}, "dir_name": "cori05:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-10-07-17-45-10-161893/launcher_2019-10-08-01-21-53-662792", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 4, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 3]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.11111111, -0.0, 0.0], "genvec2": [-0.0, 0.11111111, 0.0], "genvec3": [0.0, 0.0, 0.33333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00411523}, {"abc": [0.11111111, 0.0, 0.0], "weight": 0.02469136}, {"abc": [0.22222222, 0.0, 0.0], "weight": 0.02469136}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.02469136}, {"abc": [0.44444444, 0.0, 0.0], "weight": 0.02469136}, {"abc": [0.11111111, 0.11111111, 0.0], "weight": 0.02469136}, {"abc": [0.22222222, 0.11111111, 0.0], "weight": 0.04938272}, {"abc": [0.33333333, 0.11111111, 0.0], "weight": 0.04938272}, {"abc": [0.44444444, 0.11111111, 0.0], "weight": 0.02469136}, {"abc": [0.22222222, 0.22222222, 0.0], "weight": 0.02469136}, {"abc": [0.33333333, 0.22222222, 0.0], "weight": 0.04938272}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00823045}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.00823045}, {"abc": [0.11111111, 0.0, 0.33333333], "weight": 0.04938272}, {"abc": [0.22222222, 0.0, 0.33333333], "weight": 0.04938272}, {"abc": [0.33333333, 0.0, 0.33333333], "weight": 0.04938272}, {"abc": [0.44444444, 0.0, 0.33333333], "weight": 0.04938272}, {"abc": [0.11111111, 0.11111111, 0.33333333], "weight": 0.04938272}, {"abc": [0.22222222, 0.11111111, 0.33333333], "weight": 0.09876543}, {"abc": [0.33333333, 0.11111111, 0.33333333], "weight": 0.09876543}, {"abc": [0.44444444, 0.11111111, 0.33333333], "weight": 0.04938272}, {"abc": [0.22222222, 0.22222222, 0.33333333], "weight": 0.04938272}, {"abc": [0.33333333, 0.22222222, 0.33333333], "weight": 0.09876543}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.01646091}]}, "nkpoints": 24, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 16, "NELECT": 12.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.13e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 80, "NGXF": 48, "NGYF": 48, "NGZF": 160, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.002, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 16, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.03787933, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.0459270896396324, -1.1812163946382641, 0.0], [2.0459270896396324, 1.1812163946382641, 0.0], [0.0, 0.0, 0.6394863281061053]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -7.62450131, "e_wo_entrp": -7.62450131, "e_0_energy": 0.0, "forces": [[-0.0, 0.0, -0.0], [0.0, -0.0, 0.0], [-0.0, 0.0, -0.0], [0.0, 0.0, 0.0]], "stress": [[0.94917984, -0.0, 0.0], [0.0, 0.9491801, 0.0], [0.0, 0.0, 0.70735843]], "electronic_steps": [{"alphaZ": 16.53002713, "ewald": -275.48606931, "hartreedc": -15.30187117, "XCdc": 26.93801127, "pawpsdc": 43.88689662, "pawaedc": -54.76253551, "eentropy": 0.0, "bandstr": -656.85510235, "atom": 811.13530494, "e_fr_energy": -103.91533837, "e_wo_entrp": -103.91533837, "e_0_energy": -103.91533837}, {"e_fr_energy": -123.41693063, "e_wo_entrp": -123.41693063, "e_0_energy": -123.41693063}, {"e_fr_energy": -123.76191017, "e_wo_entrp": -123.76191017, "e_0_energy": -123.76191017}, {"e_fr_energy": -123.77038931, "e_wo_entrp": -123.77038931, "e_0_energy": -123.77038931}, {"e_fr_energy": -123.7704275, "e_wo_entrp": -123.7704275, "e_0_energy": -123.7704275}, {"e_fr_energy": -52.38224797, "e_wo_entrp": -52.38224797, "e_0_energy": -52.38224797}, {"e_fr_energy": -8.2002924, "e_wo_entrp": -8.2002924, "e_0_energy": -8.2002924}, {"e_fr_energy": -7.71657423, "e_wo_entrp": -7.71657423, "e_0_energy": -7.71657423}, {"e_fr_energy": -7.61031008, "e_wo_entrp": -7.61031008, "e_0_energy": -7.61031008}, {"e_fr_energy": -7.62907091, "e_wo_entrp": -7.62907091, "e_0_energy": -7.62907091}, {"e_fr_energy": -7.62416641, "e_wo_entrp": -7.62416641, "e_0_energy": -7.62416641}, {"e_fr_energy": -7.62447338, "e_wo_entrp": -7.62447338, "e_0_energy": -7.62447338}, {"alphaZ": 16.53002713, "ewald": -275.48606931, "hartreedc": -128.13881088, "XCdc": 43.36715584, "pawpsdc": 243.44011366, "pawaedc": -338.51214449, "eentropy": 0.0, "bandstr": -379.9600782, "atom": 811.13530494, "e_fr_energy": -7.62450131, "e_wo_entrp": -7.62450131, "e_0_energy": -7.62450131}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {}}]}}], "efermi": -0.22606024, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {}}]}, "energy": -7.62450131, "energy_per_atom": -1.9061253275, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2261, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.106, "p": 0.109, "d": 0.0, "tot": 2.215}, {"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.214}, {"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.215}, {"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.214}], "total_magnetization": -0.0007189, "nelect": 12.0, "is_stopped": false, "drift": [[-0.0, 7.4e-05, 4e-06]], "ngf": [48, 48, 160], "sampling_radii": [0.8577], "electrostatic_potential": [-21.2059, -21.1675, -21.2059, -21.1675], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-10-07-17-45-10-161893/launcher_2019-10-08-01-21-53-662792", "completed_at": "2019-10-07 18:22:58", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead050c4331a44ee71fb15f"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead050c4331a44ee71fb162"}}], "chemsys": "Li", "completed_at": "2019-10-07 18:22:58", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 4.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 16, "NELECT": 12.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.13e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 80, "NGXF": 48, "NGYF": 48, "NGZF": 160, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.002, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 16, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.03787933, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 05:28:44.295000"}, "nelements": 1, "nsites": 4, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0002, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 3]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659625, 0.0], [1.535535, 2.659625, 0.0], [0.0, 0.0, 9.825363]], "a": 3.071070314540193, "b": 3.071070314540193, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000677607778, "volume": 80.25252888718995}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.88654343975, 2.45634075], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.88654343975, 7.3690222499999996], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5744766835932253, "energy": -7.62450131, "energy_per_atom": -1.9061253275, "forces": [[-0.0, 0.0, -0.0], [0.0, -0.0, 0.0], [-0.0, 0.0, -0.0], [0.0, 0.0, 0.0]], "stress": [[0.94917984, -0.0, 0.0], [0.0, 0.9491801, 0.0], [0.0, 0.0, 0.70735843]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 200976.0, "Elapsed time (sec)": 58.424, "System time (sec)": 5.808, "User time (sec)": 51.705, "Total CPU time used (sec)": 57.512, "cores": "16"}, "overall": {"Total CPU time used (sec)": 57.512, "User time (sec)": 51.705, "System time (sec)": 5.808, "Elapsed time (sec)": 58.424}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1398010", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf5c033f7551cd85ed5507"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-03-11-41-956279", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 4, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[6, 6, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.16666667, 0.0, 0.0], "genvec2": [0.0, 0.16666667, 0.0], "genvec3": [0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.0, 0.0], "weight": 0.02777778}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.02777778}, {"abc": [0.5, 0.0, 0.0], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.0], "weight": 0.05555556}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.11111111}, {"abc": [0.5, 0.16666667, 0.0], "weight": 0.05555556}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.05555556}, {"abc": [0.5, 0.33333333, 0.0], "weight": 0.05555556}, {"abc": [0.5, 0.5, 0.0], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.16666667], "weight": 0.03703704}, {"abc": [0.33333333, 0.16666667, 0.16666667], "weight": 0.11111111}, {"abc": [0.5, 0.16666667, 0.16666667], "weight": 0.05555556}, {"abc": [0.33333333, 0.33333333, 0.16666667], "weight": 0.11111111}, {"abc": [0.5, 0.33333333, 0.16666667], "weight": 0.11111111}, {"abc": [0.5, 0.5, 0.16666667], "weight": 0.02777778}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.03703704}, {"abc": [0.5, 0.33333333, 0.33333333], "weight": 0.05555556}, {"abc": [0.5, 0.5, 0.33333333], "weight": 0.02777778}, {"abc": [0.5, 0.5, 0.5], "weight": 0.00462963}]}, "nkpoints": 20, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 32, "NELECT": 12.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.56e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 36, "NGY": 36, "NGZ": 36, "NGXF": 72, "NGYF": 72, "NGZF": 72, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.002, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 13.28588385, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[1.409548869540506, 0.0, 0.0], [0.0, 1.409548869540506, 0.0], [0.0, 0.0, 1.409548869540506]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -6.58849649, "e_wo_entrp": -6.58849649, "e_0_energy": 0.0, "forces": [[-0.0, 0.0, -0.0], [-0.0, 0.0, 0.0], [0.0, -0.0, 0.0], [0.0, 0.0, 0.0]], "stress": [[-2.77567913, -0.0, 0.0], [0.0, -2.77567913, 0.0], [-0.0, 0.0, -2.77567913]], "electronic_steps": [{"alphaZ": 14.97728524, "ewald": -257.55240035, "hartreedc": -1.66998392, "XCdc": 24.51618913, "pawpsdc": 7.66762765, "pawaedc": -7.70906647, "eentropy": 0.0, "bandstr": -754.78220274, "atom": 811.13530494, "e_fr_energy": -163.41724652, "e_wo_entrp": -163.41724652, "e_0_energy": -163.41724652}, {"e_fr_energy": -176.8342522, "e_wo_entrp": -176.8342522, "e_0_energy": -176.8342522}, {"e_fr_energy": -176.95675392, "e_wo_entrp": -176.95675392, "e_0_energy": -176.95675392}, {"e_fr_energy": -176.95892021, "e_wo_entrp": -176.95892021, "e_0_energy": -176.95892021}, {"e_fr_energy": -176.95893015, "e_wo_entrp": -176.95893015, "e_0_energy": -176.95893015}, {"e_fr_energy": -82.93368042, "e_wo_entrp": -82.93368042, "e_0_energy": -82.93368042}, {"e_fr_energy": -8.11594035, "e_wo_entrp": -8.11594035, "e_0_energy": -8.11594035}, {"e_fr_energy": -7.47030686, "e_wo_entrp": -7.47030686, "e_0_energy": -7.47030686}, {"e_fr_energy": -6.47812639, "e_wo_entrp": -6.47812639, "e_0_energy": -6.47812639}, {"e_fr_energy": -6.5890464, "e_wo_entrp": -6.5890464, "e_0_energy": -6.5890464}, {"e_fr_energy": -6.58690832, "e_wo_entrp": -6.58690832, "e_0_energy": -6.58690832}, {"e_fr_energy": -6.58749239, "e_wo_entrp": -6.58749239, "e_0_energy": -6.58749239}, {"e_fr_energy": -6.5884508, "e_wo_entrp": -6.5884508, "e_0_energy": -6.5884508}, {"alphaZ": 14.97728524, "ewald": -257.55240035, "hartreedc": -136.75901176, "XCdc": 43.17003111, "pawpsdc": 242.17701483, "pawaedc": -337.18320327, "eentropy": 0.0, "bandstr": -386.55351722, "atom": 811.13530494, "e_fr_energy": -6.58849649, "e_wo_entrp": -6.58849649, "e_0_energy": -6.58849649}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {}}]}}], "efermi": -0.10775697, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {}}]}, "energy": -6.58849649, "energy_per_atom": -1.6471241225, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.1078, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.1, "p": 0.105, "d": 0.0, "tot": 2.205}, {"s": 2.109, "p": 0.099, "d": 0.0, "tot": 2.207}, {"s": 2.105, "p": 0.103, "d": 0.0, "tot": 2.208}, {"s": 2.097, "p": 0.11, "d": 0.0, "tot": 2.206}], "total_magnetization": 0.0018553, "nelect": 12.0, "is_stopped": false, "drift": [[-0.0, 0.0, 0.0]], "ngf": [72, 72, 72], "sampling_radii": [0.8577], "electrostatic_potential": [-21.9404, -21.9404, -21.9404, -21.9404], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-03-11-41-956279", "completed_at": "2019-09-25 20:12:59", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf5c0373a9a70d0b47ade4"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf5c0373a9a70d0b47ade7"}}], "chemsys": "Li", "completed_at": "2019-09-25 20:12:59", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 4.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.0002, "IALGO": 38, "IWAVPR": 10, "NBANDS": 32, "NELECT": 12.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.56e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 36, "NGY": 36, "NGZ": 36, "NGXF": 72, "NGYF": 72, "NGZF": 72, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.002, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 13.28588385, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0002, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-04 00:04:19.858000"}, "nelements": 1, "nsites": 4, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0002, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[6, 6, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5205134318254991, "energy": -6.58849649, "energy_per_atom": -1.6471241225, "forces": [[-0.0, 0.0, -0.0], [-0.0, 0.0, 0.0], [0.0, -0.0, 0.0], [0.0, 0.0, 0.0]], "stress": [[-2.77567913, -0.0, 0.0], [0.0, -2.77567913, 0.0], [-0.0, 0.0, -2.77567913]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "P4_132", "number": 213, "point_group": "432", "crystal_system": "cubic", "hall": "P 4bd 2ab 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 202920.0, "Elapsed time (sec)": 67.667, "System time (sec)": 6.263, "User time (sec)": 60.479, "Total CPU time used (sec)": 66.742, "cores": "32"}, "overall": {"Total CPU time used (sec)": 66.742, "User time (sec)": 60.479, "System time (sec)": 6.263, "Elapsed time (sec)": 67.667}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1418694", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead40643f7551cd85b15080"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-02-31-26-349339", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "All", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, 0.0, 0.0], "genvec2": [0.0, 0.08333333, 0.0], "genvec3": [0.0, 0.0, 0.08333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.16666667, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.25, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.41666667, 0.0, 0.0], "weight": 0.00347222}, {"abc": [0.5, 0.0, 0.0], "weight": 0.00173611}, {"abc": [0.08333333, 0.08333333, 0.0], "weight": 0.00347222}, {"abc": [0.16666667, 0.08333333, 0.0], "weight": 0.00694444}, {"abc": [0.25, 0.08333333, 0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.08333333, 0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.08333333, 0.0], "weight": 0.00694444}, {"abc": [0.16666667, 0.16666667, 0.0], "weight": 0.00347222}, {"abc": [0.25, 0.16666667, 0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.16666667, 0.0], "weight": 0.00347222}, {"abc": [0.25, 0.25, 0.0], "weight": 0.00347222}, {"abc": [0.33333333, 0.25, 0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00115741}, {"abc": [0.0, 0.0, 0.08333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.0, 0.08333333], "weight": 0.00694444}, {"abc": [0.16666667, 0.0, 0.08333333], "weight": 0.00694444}, {"abc": [0.25, 0.0, 0.08333333], "weight": 0.00694444}, {"abc": [0.33333333, 0.0, 0.08333333], "weight": 0.00694444}, {"abc": [0.41666667, 0.0, 0.08333333], "weight": 0.00694444}, {"abc": [0.5, 0.0, 0.08333333], "weight": 0.00347222}, {"abc": [0.08333333, 0.08333333, 0.08333333], "weight": 0.00694444}, {"abc": [0.16666667, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.08333333], "weight": 0.00694444}, {"abc": [0.25, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.08333333], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.08333333], "weight": 0.00694444}, {"abc": [0.33333333, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.33333333, 0.08333333], "weight": 0.00231481}, {"abc": [0.0, 0.0, 0.16666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.0, 0.16666667], "weight": 0.00694444}, {"abc": [0.16666667, 0.0, 0.16666667], "weight": 0.00694444}, {"abc": [0.25, 0.0, 0.16666667], "weight": 0.00694444}, {"abc": [0.33333333, 0.0, 0.16666667], "weight": 0.00694444}, {"abc": [0.41666667, 0.0, 0.16666667], "weight": 0.00694444}, {"abc": [0.5, 0.0, 0.16666667], "weight": 0.00347222}, {"abc": [0.08333333, 0.08333333, 0.16666667], "weight": 0.00694444}, {"abc": [0.16666667, 0.08333333, 0.16666667], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.16666667], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.16666667], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.16666667], "weight": 0.00694444}, {"abc": [0.25, 0.16666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.16666667], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.16666667], "weight": 0.00694444}, {"abc": [0.33333333, 0.25, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.33333333, 0.16666667], "weight": 0.00231481}, {"abc": [0.0, 0.0, 0.25], "weight": 0.00115741}, {"abc": [0.08333333, 0.0, 0.25], "weight": 0.00694444}, {"abc": [0.16666667, 0.0, 0.25], "weight": 0.00694444}, {"abc": [0.25, 0.0, 0.25], "weight": 0.00694444}, {"abc": [0.33333333, 0.0, 0.25], "weight": 0.00694444}, {"abc": [0.41666667, 0.0, 0.25], "weight": 0.00694444}, {"abc": [0.5, 0.0, 0.25], "weight": 0.00347222}, {"abc": [0.08333333, 0.08333333, 0.25], "weight": 0.00694444}, {"abc": [0.16666667, 0.08333333, 0.25], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.25], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.25], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.25], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.25], "weight": 0.00694444}, {"abc": [0.25, 0.16666667, 0.25], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.25], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.25], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00694444}, {"abc": [0.33333333, 0.25, 0.25], "weight": 0.01388889}, {"abc": [0.33333333, 0.33333333, 0.25], "weight": 0.00231481}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.00115741}, {"abc": [0.08333333, 0.0, 0.33333333], "weight": 0.00694444}, {"abc": [0.16666667, 0.0, 0.33333333], "weight": 0.00694444}, {"abc": [0.25, 0.0, 0.33333333], "weight": 0.00694444}, {"abc": [0.33333333, 0.0, 0.33333333], "weight": 0.00694444}, {"abc": [0.41666667, 0.0, 0.33333333], "weight": 0.00694444}, {"abc": [0.5, 0.0, 0.33333333], "weight": 0.00347222}, {"abc": [0.08333333, 0.08333333, 0.33333333], "weight": 0.00694444}, {"abc": [0.16666667, 0.08333333, 0.33333333], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.33333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.33333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.33333333], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.33333333], "weight": 0.00694444}, {"abc": [0.25, 0.16666667, 0.33333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.33333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.33333333], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.33333333], "weight": 0.00694444}, {"abc": [0.33333333, 0.25, 0.33333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.00231481}, {"abc": [0.0, 0.0, 0.41666667], "weight": 0.00115741}, {"abc": [0.08333333, 0.0, 0.41666667], "weight": 0.00694444}, {"abc": [0.16666667, 0.0, 0.41666667], "weight": 0.00694444}, {"abc": [0.25, 0.0, 0.41666667], "weight": 0.00694444}, {"abc": [0.33333333, 0.0, 0.41666667], "weight": 0.00694444}, {"abc": [0.41666667, 0.0, 0.41666667], "weight": 0.00694444}, {"abc": [0.5, 0.0, 0.41666667], "weight": 0.00347222}, {"abc": [0.08333333, 0.08333333, 0.41666667], "weight": 0.00694444}, {"abc": [0.16666667, 0.08333333, 0.41666667], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.41666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.41666667], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.41666667], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.41666667], "weight": 0.00694444}, {"abc": [0.25, 0.16666667, 0.41666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.41666667], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.41666667], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.41666667], "weight": 0.00694444}, {"abc": [0.33333333, 0.25, 0.41666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.33333333, 0.41666667], "weight": 0.00231481}, {"abc": [0.0, 0.0, 0.5], "weight": 0.0005787}, {"abc": [0.08333333, 0.0, 0.5], "weight": 0.00347222}, {"abc": [0.16666667, 0.0, 0.5], "weight": 0.00347222}, {"abc": [0.25, 0.0, 0.5], "weight": 0.00347222}, {"abc": [0.33333333, 0.0, 0.5], "weight": 0.00347222}, {"abc": [0.41666667, 0.0, 0.5], "weight": 0.00347222}, {"abc": [0.5, 0.0, 0.5], "weight": 0.00173611}, {"abc": [0.08333333, 0.08333333, 0.5], "weight": 0.00347222}, {"abc": [0.16666667, 0.08333333, 0.5], "weight": 0.00694444}, {"abc": [0.25, 0.08333333, 0.5], "weight": 0.00694444}, {"abc": [0.33333333, 0.08333333, 0.5], "weight": 0.00694444}, {"abc": [0.41666667, 0.08333333, 0.5], "weight": 0.00694444}, {"abc": [0.16666667, 0.16666667, 0.5], "weight": 0.00347222}, {"abc": [0.25, 0.16666667, 0.5], "weight": 0.00694444}, {"abc": [0.33333333, 0.16666667, 0.5], "weight": 0.00694444}, {"abc": [0.41666667, 0.16666667, 0.5], "weight": 0.00347222}, {"abc": [0.25, 0.25, 0.5], "weight": 0.00347222}, {"abc": [0.33333333, 0.25, 0.5], "weight": 0.00694444}, {"abc": [0.33333333, 0.33333333, 0.5], "weight": 0.00115741}]}, "nkpoints": 133, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 58, "IWAVPR": 10, "NBANDS": 32, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 18, "NGXF": 40, "NGYF": 40, "NGZF": 36, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.71170688, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.5234142105354502, -1.4568934806877656, 0.0], [2.5234142105354502, 1.4568934806877656, 0.0], [0.0, 0.0, 2.6247866069981884]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -7.99321866, "e_wo_entrp": -7.99321866, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, 0.0]], "stress": [[-12.74848272, 0.0, 0.0], [0.0, -12.7484896, 0.0], [0.0, 0.0, -11.76188429]], "electronic_steps": [{"alphaZ": 152.83482291, "ewald": -1722.71818426, "hartreedc": -635.16201106, "XCdc": 73.42055938, "pawpsdc": 1833.94670829, "pawaedc": -1922.03342509, "eentropy": 0.0, "bandstr": -239.75741373, "atom": 2456.89122314, "e_fr_energy": -2.57772042, "e_wo_entrp": -2.57772042, "e_0_energy": -2.57772042}, {"e_fr_energy": -7.82985955, "e_wo_entrp": -7.82985955, "e_0_energy": -7.82985955}, {"e_fr_energy": -7.83289869, "e_wo_entrp": -7.83289869, "e_0_energy": -7.83289869}, {"e_fr_energy": -7.83289905, "e_wo_entrp": -7.83289905, "e_0_energy": -7.83289905}, {"e_fr_energy": -7.83289905, "e_wo_entrp": -7.83289905, "e_0_energy": -7.83289905}, {"e_fr_energy": -5.57694162, "e_wo_entrp": -5.57694162, "e_0_energy": -5.57694162}, {"e_fr_energy": -7.66497425, "e_wo_entrp": -7.66497425, "e_0_energy": -7.66497425}, {"e_fr_energy": -7.88193762, "e_wo_entrp": -7.88193762, "e_0_energy": -7.88193762}, {"e_fr_energy": -7.77336816, "e_wo_entrp": -7.77336816, "e_0_energy": -7.77336816}, {"e_fr_energy": -7.9836759, "e_wo_entrp": -7.9836759, "e_0_energy": -7.9836759}, {"e_fr_energy": -7.99089528, "e_wo_entrp": -7.99089528, "e_0_energy": -7.99089528}, {"e_fr_energy": -7.99227976, "e_wo_entrp": -7.99227976, "e_0_energy": -7.99227976}, {"e_fr_energy": -7.98714945, "e_wo_entrp": -7.98714945, "e_0_energy": -7.98714945}, {"e_fr_energy": -7.99199324, "e_wo_entrp": -7.99199324, "e_0_energy": -7.99199324}, {"e_fr_energy": -7.99292614, "e_wo_entrp": -7.99292614, "e_0_energy": -7.99292614}, {"e_fr_energy": -7.99319796, "e_wo_entrp": -7.99319796, "e_0_energy": -7.99319796}, {"alphaZ": 152.83482291, "ewald": -1722.71818426, "hartreedc": -602.37888288, "XCdc": 70.42110602, "pawpsdc": 1855.0157698, "pawaedc": -1945.94792966, "eentropy": 0.0, "bandstr": -272.11114373, "atom": 2456.89122314, "e_fr_energy": -7.99321866, "e_wo_entrp": -7.99321866, "e_0_energy": -7.99321866}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}], "efermi": 4.52150407, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "energy": -7.99321866, "energy_per_atom": -7.99321866, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 4.5256, "magnetization": [{"s": 0.007, "p": -0.012, "d": 2.479, "tot": 2.474}], "charge": [{"s": 0.383, "p": 6.317, "d": 6.05, "tot": 12.75}], "total_magnetization": 2.4749351, "nelect": 14.0, "is_stopped": false, "drift": [[0.0, 0.0, -0.0]], "ngf": [40, 40, 36], "sampling_radii": [0.95], "electrostatic_potential": [-46.2569], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-02-31-26-349339", "completed_at": "2019-09-25 19:40:18", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead4064a70f0700e3479c3e"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead4065a70f0700e3479c41"}}], "chemsys": "Fe", "completed_at": "2019-09-25 19:40:18", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 58, "IWAVPR": 10, "NBANDS": 32, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 18, "NGXF": 40, "NGYF": 40, "NGZF": 36, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.71170688, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "All", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 09:41:56.936000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.244977, -2.156364, 0.0], [1.244977, 2.156364, 0.0], [0.0, 0.0, 2.393789]], "a": 2.489954503806244, "b": 2.489954503806244, "c": 2.393789, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001338640993, "volume": 12.852844807258572}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.474}}]}, "density": 7.214963345850613, "energy": -7.99321866, "energy_per_atom": -7.99321866, "forces": [[-0.0, -0.0, 0.0]], "stress": [[-12.74848272, 0.0, 0.0], [0.0, -12.7484896, 0.0], [0.0, 0.0, -11.76188429]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "P6/mmm", "number": 191, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6 2"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 242648.0, "Elapsed time (sec)": 239.567, "System time (sec)": 6.904, "User time (sec)": 231.946, "Total CPU time used (sec)": 238.85, "cores": "32"}, "overall": {"Total CPU time used (sec)": 238.85, "User time (sec)": 231.946, "System time (sec)": 6.904, "Elapsed time (sec)": 239.567}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1418926", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf4e0a3f7551cd85ebe62c"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-02-52-56-879957", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 3, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[6, 6, 10]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.16666667, 0.0, 0.0], "genvec2": [0.0, 0.16666667, 0.0], "genvec3": [0.0, 0.0, 0.1], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00277778}, {"abc": [0.16666667, -0.0, 0.0], "weight": 0.01666667}, {"abc": [0.33333333, -0.0, 0.0], "weight": 0.01666667}, {"abc": [0.5, -0.0, 0.0], "weight": 0.00833333}, {"abc": [0.16666667, 0.16666667, 0.0], "weight": 0.01666667}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.03333333}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00555556}, {"abc": [0.0, 0.0, 0.1], "weight": 0.00555556}, {"abc": [0.16666667, -0.0, 0.1], "weight": 0.03333333}, {"abc": [0.33333333, -0.0, 0.1], "weight": 0.03333333}, {"abc": [0.5, -0.0, 0.1], "weight": 0.01666667}, {"abc": [0.16666667, 0.16666667, 0.1], "weight": 0.03333333}, {"abc": [0.33333333, 0.16666667, 0.1], "weight": 0.06666667}, {"abc": [0.33333333, 0.33333333, 0.1], "weight": 0.01111111}, {"abc": [0.0, 0.0, 0.2], "weight": 0.00555556}, {"abc": [0.16666667, -0.0, 0.2], "weight": 0.03333333}, {"abc": [0.33333333, -0.0, 0.2], "weight": 0.03333333}, {"abc": [0.5, -0.0, 0.2], "weight": 0.01666667}, {"abc": [0.16666667, 0.16666667, 0.2], "weight": 0.03333333}, {"abc": [0.33333333, 0.16666667, 0.2], "weight": 0.06666667}, {"abc": [0.33333333, 0.33333333, 0.2], "weight": 0.01111111}, {"abc": [0.0, 0.0, 0.3], "weight": 0.00555556}, {"abc": [0.16666667, -0.0, 0.3], "weight": 0.03333333}, {"abc": [0.33333333, -0.0, 0.3], "weight": 0.03333333}, {"abc": [0.5, -0.0, 0.3], "weight": 0.01666667}, {"abc": [0.16666667, 0.16666667, 0.3], "weight": 0.03333333}, {"abc": [0.33333333, 0.16666667, 0.3], "weight": 0.06666667}, {"abc": [0.33333333, 0.33333333, 0.3], "weight": 0.01111111}, {"abc": [0.0, 0.0, 0.4], "weight": 0.00555556}, {"abc": [0.16666667, -0.0, 0.4], "weight": 0.03333333}, {"abc": [0.33333333, -0.0, 0.4], "weight": 0.03333333}, {"abc": [0.5, -0.0, 0.4], "weight": 0.01666667}, {"abc": [0.16666667, 0.16666667, 0.4], "weight": 0.03333333}, {"abc": [0.33333333, 0.16666667, 0.4], "weight": 0.06666667}, {"abc": [0.33333333, 0.33333333, 0.4], "weight": 0.01111111}, {"abc": [0.0, 0.0, 0.5], "weight": 0.00277778}, {"abc": [0.16666667, -0.0, 0.5], "weight": 0.01666667}, {"abc": [0.33333333, -0.0, 0.5], "weight": 0.01666667}, {"abc": [0.5, -0.0, 0.5], "weight": 0.00833333}, {"abc": [0.16666667, 0.16666667, 0.5], "weight": 0.01666667}, {"abc": [0.33333333, 0.16666667, 0.5], "weight": 0.03333333}, {"abc": [0.33333333, 0.33333333, 0.5], "weight": 0.00555556}]}, "nkpoints": 42, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 32, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.17e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 36, "NGY": 36, "NGZ": 24, "NGXF": 72, "NGYF": 72, "NGZF": 48, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.04116356, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[1.2809003889638257, -0.7395281880080603, 0.0], [1.2809003889638257, 0.7395281880080603, 0.0], [0.0, 0.0, 2.1747085385266782]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -5.671036, "e_wo_entrp": -5.671036, "e_0_energy": 0.0, "forces": [[0.0, 0.0, -0.0], [-0.0, 0.0, 0.0], [0.0, -0.0, -0.0]], "stress": [[0.09513014, 0.0, 0.0], [0.0, 0.09513014, 0.0], [-0.0, 0.0, 1.37614644]], "electronic_steps": [{"alphaZ": 12.39413893, "ewald": -206.29472012, "hartreedc": -97.59524599, "XCdc": 32.8574924, "pawpsdc": 170.82917016, "pawaedc": -241.97183227, "eentropy": 0.0, "bandstr": -277.07366836, "atom": 608.35147871, "e_fr_energy": 1.49681343, "e_wo_entrp": 1.49681343, "e_0_energy": 1.49681343}, {"e_fr_energy": -4.73905665, "e_wo_entrp": -4.73905665, "e_0_energy": -4.73905665}, {"e_fr_energy": -4.7472525, "e_wo_entrp": -4.7472525, "e_0_energy": -4.7472525}, {"e_fr_energy": -4.74727614, "e_wo_entrp": -4.74727614, "e_0_energy": -4.74727614}, {"e_fr_energy": -4.74727615, "e_wo_entrp": -4.74727615, "e_0_energy": -4.74727615}, {"e_fr_energy": -5.45107186, "e_wo_entrp": -5.45107186, "e_0_energy": -5.45107186}, {"e_fr_energy": -5.66048173, "e_wo_entrp": -5.66048173, "e_0_energy": -5.66048173}, {"e_fr_energy": -5.66904634, "e_wo_entrp": -5.66904634, "e_0_energy": -5.66904634}, {"e_fr_energy": -5.6707439, "e_wo_entrp": -5.6707439, "e_0_energy": -5.6707439}, {"e_fr_energy": -5.67094925, "e_wo_entrp": -5.67094925, "e_0_energy": -5.67094925}, {"alphaZ": 12.39413893, "ewald": -206.29472012, "hartreedc": -96.23610699, "XCdc": 32.5246783, "pawpsdc": 182.58714817, "pawaedc": -253.90103137, "eentropy": 0.0, "bandstr": -285.09662163, "atom": 608.35147871, "e_fr_energy": -5.671036, "e_wo_entrp": -5.671036, "e_0_energy": -5.671036}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {}}]}}], "efermi": -0.19395784, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {}}]}, "energy": -5.671036, "energy_per_atom": -1.8903453333333333, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.194, "magnetization": [{"s": -0.001, "p": -0.001, "d": 0.0, "tot": -0.002}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.001}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.001}], "charge": [{"s": 2.109, "p": 0.104, "d": 0.0, "tot": 2.213}, {"s": 2.105, "p": 0.111, "d": 0.0, "tot": 2.216}, {"s": 2.105, "p": 0.111, "d": 0.0, "tot": 2.216}], "total_magnetization": -0.0010321, "nelect": 9.0, "is_stopped": false, "drift": [[0.0, -0.0, 0.0]], "ngf": [72, 72, 48], "sampling_radii": [0.8577], "electrostatic_potential": [-21.1283, -21.2518, -21.2518], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-02-52-56-879957", "completed_at": "2019-09-25 19:56:37", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf4e0ade7b1ee97347ad60"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf4e0bde7b1ee97347ad63"}}], "chemsys": "Li", "completed_at": "2019-09-25 19:56:37", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 32, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.17e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 36, "NGY": 36, "NGZ": 24, "NGXF": 72, "NGYF": 72, "NGZF": 48, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.04116356, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:04:42.910000"}, "nelements": 1, "nsites": 3, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.00015000000000000001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[6, 6, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.452644, -4.248104, 0.0], [2.452644, 4.248104, 0.0], [0.0, 0.0, 2.889208]], "a": 4.905287981918288, "b": 4.905287981918288, "c": 2.889208, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999975612516, "volume": 60.2058177952507}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.002}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.5], "xyz": [2.452644, -1.416037498736, 1.444604], "label": "Li", "properties": {"magmom": 0.001}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.5], "xyz": [2.452644, 1.416037498736, 1.444604], "label": "Li", "properties": {"magmom": 0.001}}]}, "density": 0.5743199951440476, "energy": -5.671036, "energy_per_atom": -1.8903453333333333, "forces": [[0.0, 0.0, -0.0], [-0.0, 0.0, 0.0], [0.0, -0.0, -0.0]], "stress": [[0.09513014, 0.0, 0.0], [0.0, 0.09513014, 0.0], [-0.0, 0.0, 1.37614644]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "P6/mmm", "number": 191, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6 2"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 204336.0, "Elapsed time (sec)": 76.931, "System time (sec)": 4.904, "User time (sec)": 71.116, "Total CPU time used (sec)": 76.02, "cores": "32"}, "overall": {"Total CPU time used (sec)": 76.02, "User time (sec)": 71.116, "System time (sec)": 4.904, "Elapsed time (sec)": 76.931}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1425567", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf51783f7551cd85ec41ba"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-02-24-34-251598", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, -0.0, 0.0], "genvec2": [-0.0, 0.08333333, -0.0], "genvec3": [0.0, 0.0, 0.08333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, -0.0, 0.0], "weight": 0.00462963}, {"abc": [0.16666667, 0.0, -0.0], "weight": 0.00462963}, {"abc": [0.25, -0.0, 0.0], "weight": 0.00462963}, {"abc": [0.33333333, -0.0, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, -0.0, -0.0], "weight": 0.00462963}, {"abc": [0.5, -0.0, 0.0], "weight": 0.00231481}, {"abc": [0.08333333, 0.08333333, -0.0], "weight": 0.00347222}, {"abc": [0.16666667, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [0.5, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [-0.25, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [-0.16666667, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [-0.08333333, 0.08333333, -0.0], "weight": 0.00694444}, {"abc": [0.16666667, 0.16666667, -0.0], "weight": 0.00347222}, {"abc": [0.25, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [0.5, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [-0.25, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [-0.16666667, 0.16666667, 0.0], "weight": 0.00694444}, {"abc": [0.25, 0.25, -0.0], "weight": 0.00347222}, {"abc": [0.33333333, 0.25, -0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.25, -0.0], "weight": 0.01388889}, {"abc": [0.5, 0.25, -0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.25, -0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.25, 0.0], "weight": 0.01388889}, {"abc": [-0.25, 0.25, -0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.33333333, -0.0], "weight": 0.00347222}, {"abc": [0.41666667, 0.33333333, -0.0], "weight": 0.01388889}, {"abc": [0.5, 0.33333333, -0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.33333333, 0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.33333333, -0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.41666667, -0.0], "weight": 0.00347222}, {"abc": [0.5, 0.41666667, -0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, -0.0], "weight": 0.00694444}, {"abc": [0.5, 0.5, -0.0], "weight": 0.00173611}, {"abc": [0.25, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.41666667, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.5, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [0.5, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.25, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.16666667, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.25, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.41666667, 0.5, 0.08333333], "weight": 0.00694444}, {"abc": [0.5, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, 0.33333333, 0.16666667], "weight": 0.02777778}, {"abc": [-0.33333333, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.16666667], "weight": 0.02777778}, {"abc": [-0.25, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.5, 0.16666667], "weight": 0.00694444}, {"abc": [-0.25, 0.5, 0.25], "weight": 0.00347222}]}, "nkpoints": 72, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 32, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.35545791, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.6452056897300054, 1.6452056897300054, 1.6452056897300054], [1.6452056897300054, -1.6452056897300054, 1.6452056897300054], [1.6452056897300054, 1.6452056897300054, -1.6452056897300054]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.83670674, "e_wo_entrp": -8.83670674, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0]], "stress": [[-3.85977879, 0.0, -0.0], [0.0, -3.85977879, 0.0], [0.0, 0.0, -3.85977879]], "electronic_steps": [{"alphaZ": 98.88365629, "ewald": -1045.87084714, "hartreedc": -289.45760572, "XCdc": 30.8605753, "pawpsdc": 960.00120492, "pawaedc": -935.86768284, "eentropy": 0.0, "bandstr": -139.72921422, "atom": 1321.33482025, "e_fr_energy": 0.15490684, "e_wo_entrp": 0.15490684, "e_0_energy": 0.15490684}, {"e_fr_energy": -6.97119691, "e_wo_entrp": -6.97119691, "e_0_energy": -6.97119691}, {"e_fr_energy": -6.97472156, "e_wo_entrp": -6.97472156, "e_0_energy": -6.97472156}, {"e_fr_energy": -6.97472201, "e_wo_entrp": -6.97472201, "e_0_energy": -6.97472201}, {"e_fr_energy": -6.97472202, "e_wo_entrp": -6.97472202, "e_0_energy": -6.97472202}, {"e_fr_energy": -8.73583779, "e_wo_entrp": -8.73583779, "e_0_energy": -8.73583779}, {"e_fr_energy": -8.76837356, "e_wo_entrp": -8.76837356, "e_0_energy": -8.76837356}, {"e_fr_energy": -8.83122344, "e_wo_entrp": -8.83122344, "e_0_energy": -8.83122344}, {"e_fr_energy": -8.83008373, "e_wo_entrp": -8.83008373, "e_0_energy": -8.83008373}, {"e_fr_energy": -8.83654429, "e_wo_entrp": -8.83654429, "e_0_energy": -8.83654429}, {"e_fr_energy": -8.83667593, "e_wo_entrp": -8.83667593, "e_0_energy": -8.83667593}, {"alphaZ": 98.88365629, "ewald": -1045.87084714, "hartreedc": -259.04008519, "XCdc": 26.87548709, "pawpsdc": 964.97563472, "pawaedc": -944.98669915, "eentropy": 0.0, "bandstr": -171.00867361, "atom": 1321.33482025, "e_fr_energy": -8.83670674, "e_wo_entrp": -8.83670674, "e_0_energy": -8.83670674}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}}], "efermi": 5.85193032, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "energy": -8.83670674, "energy_per_atom": -8.83670674, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8519, "magnetization": [{"s": -0.0, "p": -0.0, "d": -0.002, "tot": -0.002}], "charge": [{"s": 0.354, "p": 6.239, "d": 3.004, "tot": 9.598}], "total_magnetization": -0.0027643, "nelect": 11.0, "is_stopped": false, "drift": [[0.0, -0.0, -0.0]], "ngf": [40, 40, 40], "sampling_radii": [0.9339], "electrostatic_potential": [-46.7305], "onsite_density_matrices": []}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-25-15-46-59-915680/launcher_2019-09-26-02-24-34-251598", "completed_at": "2019-09-25 19:28:45", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf51789078507e9f47ad84"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf51789078507e9f47ad87"}}], "chemsys": "V", "completed_at": "2019-09-25 19:28:45", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "elements": ["V"], "formula_anonymous": "A", "formula_pretty": "V", "formula_reduced_abc": "V1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 32, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 32, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.35545791, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 23:19:20.358000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": -0.002}}]}, "density": 6.0743780976875925, "energy": -8.83670674, "energy_per_atom": -8.83670674, "forces": [[0.0, 0.0, 0.0]], "stress": [[-3.85977879, 0.0, -0.0], [0.0, -3.85977879, 0.0], [0.0, 0.0, -3.85977879]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 220228.0, "Elapsed time (sec)": 97.658, "System time (sec)": 2.836, "User time (sec)": 94.502, "Total CPU time used (sec)": 97.338, "cores": "32"}, "overall": {"Total CPU time used (sec)": 97.338, "User time (sec)": 94.502, "System time (sec)": 2.836, "Elapsed time (sec)": 97.658}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1433453", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf26033f7551cd85e7cf1f"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-18-03-24-55-832595/launcher_2019-09-18-04-37-19-422818", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0032053784640818936, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 3, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[7, 7, 7]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.14285714, 0.0, 0.0], "genvec2": [0.0, 0.14285714, 0.0], "genvec3": [0.0, 0.0, 0.14285714], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00291545}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.01749271}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.01749271}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.01749271}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.01749271}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.03498542}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.03498542}, {"abc": [-0.42857143, 0.14285714, -0.0], "weight": 0.03498542}, {"abc": [-0.28571429, 0.14285714, -0.0], "weight": 0.03498542}, {"abc": [-0.14285714, 0.14285714, -0.0], "weight": 0.01749271}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.01749271}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.03498542}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.03498542}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.01749271}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.01749271}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.01749271}, {"abc": [0.14285714, 0.14285714, 0.14285714], "weight": 0.0058309}, {"abc": [0.28571429, 0.14285714, 0.14285714], "weight": 0.01749271}, {"abc": [0.42857143, 0.14285714, 0.14285714], "weight": 0.01749271}, {"abc": [-0.42857143, 0.14285714, 0.14285714], "weight": 0.01749271}, {"abc": [-0.28571429, 0.14285714, 0.14285714], "weight": 0.01749271}, {"abc": [-0.14285714, 0.14285714, 0.14285714], "weight": 0.01749271}, {"abc": [0.28571429, 0.28571429, 0.14285714], "weight": 0.01749271}, {"abc": [0.42857143, 0.28571429, 0.14285714], "weight": 0.03498542}, {"abc": [-0.42857143, 0.28571429, 0.14285714], "weight": 0.03498542}, {"abc": [-0.28571429, 0.28571429, 0.14285714], "weight": 0.03498542}, {"abc": [-0.14285714, 0.28571429, 0.14285714], "weight": 0.03498542}, {"abc": [0.42857143, 0.42857143, 0.14285714], "weight": 0.01749271}, {"abc": [-0.42857143, 0.42857143, 0.14285714], "weight": 0.03498542}, {"abc": [-0.28571429, 0.42857143, 0.14285714], "weight": 0.03498542}, {"abc": [-0.14285714, 0.42857143, 0.14285714], "weight": 0.03498542}, {"abc": [-0.42857143, -0.42857143, 0.14285714], "weight": 0.01749271}, {"abc": [-0.28571429, -0.42857143, 0.14285714], "weight": 0.03498542}, {"abc": [-0.28571429, -0.28571429, 0.14285714], "weight": 0.01749271}, {"abc": [0.28571429, 0.28571429, 0.28571429], "weight": 0.0058309}, {"abc": [0.42857143, 0.28571429, 0.28571429], "weight": 0.01749271}, {"abc": [-0.42857143, 0.28571429, 0.28571429], "weight": 0.01749271}, {"abc": [-0.28571429, 0.28571429, 0.28571429], "weight": 0.01749271}, {"abc": [0.42857143, 0.42857143, 0.28571429], "weight": 0.01749271}, {"abc": [-0.42857143, 0.42857143, 0.28571429], "weight": 0.03498542}, {"abc": [-0.28571429, 0.42857143, 0.28571429], "weight": 0.03498542}, {"abc": [-0.42857143, -0.42857143, 0.28571429], "weight": 0.01749271}, {"abc": [0.42857143, 0.42857143, 0.42857143], "weight": 0.0058309}, {"abc": [-0.42857143, 0.42857143, 0.42857143], "weight": 0.01749271}]}, "nkpoints": 44, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 5.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 60, "NGY": 60, "NGZ": 60, "NGXF": 120, "NGYF": 120, "NGZF": 120, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.06691069, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[0.4203042441502697, -2.0508045677051006, -1.142325012544729], [0.4203042441502697, 2.050804567705101, -1.1423250125447293], [0.0, 0.0, 2.3848191766674876]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -5.72676856, "e_wo_entrp": -5.72676856, "e_0_energy": 0.0, "forces": [[-0.00318286, -0.0, -0.00037928], [0.00318286, -0.0, 0.00037928], [0.0, 0.0, -0.0]], "stress": [[-3.70266659, 0.0, -0.61286388], [0.0, 1.44041717, 0.0], [-0.61286388, 0.0, 1.36738621]], "electronic_steps": [{"alphaZ": 12.36769359, "ewald": -206.45493861, "hartreedc": -97.49280902, "XCdc": 32.85177931, "pawpsdc": 170.82917016, "pawaedc": -241.97183227, "eentropy": 0.0, "bandstr": -280.02054718, "atom": 608.35147871, "e_fr_energy": -1.54000531, "e_wo_entrp": -1.54000531, "e_0_energy": -1.54000531}, {"e_fr_energy": -4.79728502, "e_wo_entrp": -4.79728502, "e_0_energy": -4.79728502}, {"e_fr_energy": -4.79849013, "e_wo_entrp": -4.79849013, "e_0_energy": -4.79849013}, {"e_fr_energy": -4.79849057, "e_wo_entrp": -4.79849057, "e_0_energy": -4.79849057}, {"e_fr_energy": -4.79849057, "e_wo_entrp": -4.79849057, "e_0_energy": -4.79849057}, {"e_fr_energy": -5.40626528, "e_wo_entrp": -5.40626528, "e_0_energy": -5.40626528}, {"e_fr_energy": -5.67453646, "e_wo_entrp": -5.67453646, "e_0_energy": -5.67453646}, {"e_fr_energy": -5.71513437, "e_wo_entrp": -5.71513437, "e_0_energy": -5.71513437}, {"e_fr_energy": -5.72651868, "e_wo_entrp": -5.72651868, "e_0_energy": -5.72651868}, {"e_fr_energy": -5.72676409, "e_wo_entrp": -5.72676409, "e_0_energy": -5.72676409}, {"alphaZ": 12.36769359, "ewald": -206.45493861, "hartreedc": -96.16336296, "XCdc": 32.52058503, "pawpsdc": 182.58522957, "pawaedc": -253.90274717, "eentropy": 0.0, "bandstr": -285.03070673, "atom": 608.35147871, "e_fr_energy": -5.72676856, "e_wo_entrp": -5.72676856, "e_0_energy": -5.72676856}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}}], "efermi": -0.23359349, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "energy": -5.72676856, "energy_per_atom": -1.9089228533333333, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2336, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.106, "p": 0.108, "d": 0.0, "tot": 2.214}, {"s": 2.106, "p": 0.108, "d": 0.0, "tot": 2.214}, {"s": 2.106, "p": 0.107, "d": 0.0, "tot": 2.214}], "total_magnetization": 0.0018592, "nelect": 9.0, "is_stopped": false, "drift": [[-0.0, 0.0, -0.0]], "ngf": [120, 120, 120], "sampling_radii": [0.8577], "electrostatic_potential": [-21.1901, -21.1901, -21.2037], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-18-03-24-55-832595/launcher_2019-09-18-04-37-19-422818", "completed_at": "2019-09-21 12:28:03", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf2603263859dec347abf8"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf2603263859dec347abfb"}}], "chemsys": "Li", "completed_at": "2019-09-21 12:28:03", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 3.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.00015, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 9.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 5.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 60, "NGY": 60, "NGZ": 60, "NGXF": 120, "NGYF": 120, "NGZF": 120, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0015, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.06691069, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.00015, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:13:55.045000"}, "nelements": 1, "nsites": 3, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.00015000000000000001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li3"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[7, 7, 7]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[7.474568, -1.531883, 0.0], [7.474568, 1.531883, 0.0], [7.160615, 0.0, 2.634659]], "a": 7.629930033251484, "b": 7.629930033251484, "c": 7.629930224091567, "alpha": 23.164313898060975, "beta": 23.164313898060975, "gamma": 23.164316749494347, "volume": 60.33455343202653}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.777946, 0.777946, 0.777946], "xyz": [17.200192351446, 0.0, 2.0496224304140003], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.222054, 0.222054, 0.222054], "xyz": [4.909558648554, 0.0, 0.585036569586], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5730945704730711, "energy": -5.72676856, "energy_per_atom": -1.9089228533333333, "forces": [[-0.00318286, -0.0, -0.00037928], [0.00318286, -0.0, 0.00037928], [0.0, 0.0, -0.0]], "stress": [[-3.70266659, 0.0, -0.61286388], [0.0, 1.44041717, 0.0], [-0.61286388, 0.0, 1.36738621]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "R-3m", "number": 166, "point_group": "-3m", "crystal_system": "trigonal", "hall": "-R 3 2\""}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 284816.0, "Elapsed time (sec)": 443.232, "System time (sec)": 26.759, "User time (sec)": 411.835, "Total CPU time used (sec)": 438.594, "cores": "64"}, "overall": {"Total CPU time used (sec)": 438.594, "User time (sec)": 411.835, "System time (sec)": 26.759, "Elapsed time (sec)": 443.232}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1439297", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf27703f7551cd85e7f40e"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-18-01-44-12-831490/launcher_2019-09-18-02-26-20-951994", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 2, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.11111111, -0.0, 0.0], "genvec2": [-0.0, 0.11111111, 0.0], "genvec3": [0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00205761}, {"abc": [0.11111111, 0.0, 0.0], "weight": 0.01234568}, {"abc": [0.22222222, -0.0, 0.0], "weight": 0.01234568}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.01234568}, {"abc": [0.44444444, -0.0, 0.0], "weight": 0.01234568}, {"abc": [0.11111111, 0.11111111, 0.0], "weight": 0.01234568}, {"abc": [0.22222222, 0.11111111, 0.0], "weight": 0.02469136}, {"abc": [0.33333333, 0.11111111, 0.0], "weight": 0.02469136}, {"abc": [0.44444444, 0.11111111, 0.0], "weight": 0.01234568}, {"abc": [0.22222222, 0.22222222, 0.0], "weight": 0.01234568}, {"abc": [0.33333333, 0.22222222, 0.0], "weight": 0.02469136}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00411523}, {"abc": [0.0, 0.0, 0.16666667], "weight": 0.00411523}, {"abc": [0.11111111, 0.0, 0.16666667], "weight": 0.02469136}, {"abc": [0.22222222, -0.0, 0.16666667], "weight": 0.02469136}, {"abc": [0.33333333, 0.0, 0.16666667], "weight": 0.02469136}, {"abc": [0.44444444, -0.0, 0.16666667], "weight": 0.02469136}, {"abc": [0.11111111, 0.11111111, 0.16666667], "weight": 0.02469136}, {"abc": [0.22222222, 0.11111111, 0.16666667], "weight": 0.04938272}, {"abc": [0.33333333, 0.11111111, 0.16666667], "weight": 0.04938272}, {"abc": [0.44444444, 0.11111111, 0.16666667], "weight": 0.02469136}, {"abc": [0.22222222, 0.22222222, 0.16666667], "weight": 0.02469136}, {"abc": [0.33333333, 0.22222222, 0.16666667], "weight": 0.04938272}, {"abc": [0.33333333, 0.33333333, 0.16666667], "weight": 0.00823045}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.00411523}, {"abc": [0.11111111, 0.0, 0.33333333], "weight": 0.02469136}, {"abc": [0.22222222, -0.0, 0.33333333], "weight": 0.02469136}, {"abc": [0.33333333, 0.0, 0.33333333], "weight": 0.02469136}, {"abc": [0.44444444, -0.0, 0.33333333], "weight": 0.02469136}, {"abc": [0.11111111, 0.11111111, 0.33333333], "weight": 0.02469136}, {"abc": [0.22222222, 0.11111111, 0.33333333], "weight": 0.04938272}, {"abc": [0.33333333, 0.11111111, 0.33333333], "weight": 0.04938272}, {"abc": [0.44444444, 0.11111111, 0.33333333], "weight": 0.02469136}, {"abc": [0.22222222, 0.22222222, 0.33333333], "weight": 0.02469136}, {"abc": [0.33333333, 0.22222222, 0.33333333], "weight": 0.04938272}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.00823045}, {"abc": [0.0, 0.0, 0.5], "weight": 0.00205761}, {"abc": [0.11111111, 0.0, 0.5], "weight": 0.01234568}, {"abc": [0.22222222, -0.0, 0.5], "weight": 0.01234568}, {"abc": [0.33333333, 0.0, 0.5], "weight": 0.01234568}, {"abc": [0.44444444, -0.0, 0.5], "weight": 0.01234568}, {"abc": [0.11111111, 0.11111111, 0.5], "weight": 0.01234568}, {"abc": [0.22222222, 0.11111111, 0.5], "weight": 0.02469136}, {"abc": [0.33333333, 0.11111111, 0.5], "weight": 0.02469136}, {"abc": [0.44444444, 0.11111111, 0.5], "weight": 0.01234568}, {"abc": [0.22222222, 0.22222222, 0.5], "weight": 0.01234568}, {"abc": [0.33333333, 0.22222222, 0.5], "weight": 0.02469136}, {"abc": [0.33333333, 0.33333333, 0.5], "weight": 0.00411523}]}, "nkpoints": 48, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 6.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 40, "NGXF": 48, "NGYF": 48, "NGZF": 80, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.11390165, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.0416272056363187, -1.1787336139059799, 0.0], [2.0416272056363187, 1.17873361390598, 0.0], [0.0, 0.0, 1.2763056980259153]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -3.81279734, "e_wo_entrp": -3.81279734, "e_0_energy": 0.0, "forces": [[0.0, -0.0, -0.0], [-0.0, 0.0, 0.0]], "stress": [[-0.74033672, -0.0, -0.0], [-0.0, -0.74033722, 0.0], [0.0, -0.0, 1.24386122]], "electronic_steps": [{"alphaZ": 8.21314543, "ewald": -137.4508202, "hartreedc": -7.1936925, "XCdc": 13.86279845, "pawpsdc": 3.26230549, "pawaedc": -3.27760567, "eentropy": 0.0, "bandstr": -374.97779196, "atom": 405.56765247, "e_fr_energy": -91.99400849, "e_wo_entrp": -91.99400849, "e_0_energy": -91.99400849}, {"e_fr_energy": -93.22472074, "e_wo_entrp": -93.22472074, "e_0_energy": -93.22472074}, {"e_fr_energy": -93.22521333, "e_wo_entrp": -93.22521333, "e_0_energy": -93.22521333}, {"e_fr_energy": -93.22521351, "e_wo_entrp": -93.22521351, "e_0_energy": -93.22521351}, {"e_fr_energy": -93.22521351, "e_wo_entrp": -93.22521351, "e_0_energy": -93.22521351}, {"e_fr_energy": -43.14301801, "e_wo_entrp": -43.14301801, "e_0_energy": -43.14301801}, {"e_fr_energy": -4.48636125, "e_wo_entrp": -4.48636125, "e_0_energy": -4.48636125}, {"e_fr_energy": -4.31978744, "e_wo_entrp": -4.31978744, "e_0_energy": -4.31978744}, {"e_fr_energy": -3.78632873, "e_wo_entrp": -3.78632873, "e_0_energy": -3.78632873}, {"e_fr_energy": -3.81083841, "e_wo_entrp": -3.81083841, "e_0_energy": -3.81083841}, {"e_fr_energy": -3.81240108, "e_wo_entrp": -3.81240108, "e_0_energy": -3.81240108}, {"e_fr_energy": -3.81259741, "e_wo_entrp": -3.81259741, "e_0_energy": -3.81259741}, {"e_fr_energy": -3.81278897, "e_wo_entrp": -3.81278897, "e_0_energy": -3.81278897}, {"alphaZ": 8.21314543, "ewald": -137.4508202, "hartreedc": -64.18848465, "XCdc": 21.6758407, "pawpsdc": 121.58120417, "pawaedc": -169.11561195, "eentropy": 0.0, "bandstr": -190.09572331, "atom": 405.56765247, "e_fr_energy": -3.81279734, "e_wo_entrp": -3.81279734, "e_0_energy": -3.81279734}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {}}]}}], "efermi": -0.23274763, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {}}]}, "energy": -3.81279734, "energy_per_atom": -1.90639867, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2327, "magnetization": [{"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.106, "p": 0.107, "d": 0.0, "tot": 2.213}, {"s": 2.106, "p": 0.108, "d": 0.0, "tot": 2.214}], "total_magnetization": -0.0022141, "nelect": 6.0, "is_stopped": false, "drift": [[-0.0, 2.6e-05, 2e-06]], "ngf": [48, 48, 80], "sampling_radii": [0.8577], "electrostatic_potential": [-21.2098, -21.2098], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-18-01-44-12-831490/launcher_2019-09-18-02-26-20-951994", "completed_at": "2019-09-18 20:40:58", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf2770c286b9044f47ac04"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eaf2770c286b9044f47ac07"}}], "chemsys": "Li", "completed_at": "2019-09-18 20:40:58", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 2.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 6.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 40, "NGXF": 48, "NGYF": 48, "NGZF": 80, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.11390165, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 20:20:00.176000"}, "nelements": 1, "nsites": 2, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li2"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5708714829216157, "energy": -3.81279734, "energy_per_atom": -1.90639867, "forces": [[0.0, -0.0, -0.0], [-0.0, 0.0, 0.0]], "stress": [[-0.74033672, -0.0, -0.0], [-0.0, -0.74033722, 0.0], [0.0, -0.0, 1.24386122]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 189640.0, "Elapsed time (sec)": 254.139, "System time (sec)": 5.057, "User time (sec)": 247.704, "Total CPU time used (sec)": 252.761, "cores": "64"}, "overall": {"Total CPU time used (sec)": 252.761, "User time (sec)": 247.704, "System time (sec)": 5.057, "Elapsed time (sec)": 254.139}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1440284", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead6c883f7551cd85b6ac24"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-22-07-03-536165", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, -0.0, 0.0], "genvec2": [-0.0, 0.08333333, 0.0], "genvec3": [0.0, 0.0, 0.08333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.16666667, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.25, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.5, 0.0, -0.0], "weight": 0.00347222}, {"abc": [0.08333333, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.16666667, 0.08333333, -0.0], "weight": 0.02777778}, {"abc": [0.25, 0.08333333, -0.0], "weight": 0.02777778}, {"abc": [0.33333333, 0.08333333, 0.0], "weight": 0.02777778}, {"abc": [0.41666667, 0.08333333, -0.0], "weight": 0.02777778}, {"abc": [0.16666667, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [0.25, 0.16666667, 0.0], "weight": 0.02777778}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.02777778}, {"abc": [0.41666667, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [0.25, 0.25, 0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.0], "weight": 0.02777778}, {"abc": [0.33333333, 0.33333333, -0.0], "weight": 0.00462963}, {"abc": [0.08333333, 0.08333333, 0.08333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.08333333], "weight": 0.00694444}, {"abc": [-0.08333333, 0.08333333, 0.08333333], "weight": 0.00347222}, {"abc": [0.16666667, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.33333333, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.16666667, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [-0.25, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [-0.16666667, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [-0.33333333, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [-0.25, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.25, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.08333333], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.5, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, -0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.33333333, -0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.16666667], "weight": 0.00462963}, {"abc": [0.25, 0.16666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.16666667], "weight": 0.00694444}, {"abc": [-0.16666667, 0.16666667, 0.16666667], "weight": 0.00347222}, {"abc": [0.25, 0.25, 0.16666667], "weight": 0.01388889}, {"abc": [-0.25, 0.25, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.25, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.16666667], "weight": 0.02777778}, {"abc": [0.5, 0.5, 0.16666667], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.16666667], "weight": 0.02777778}, {"abc": [-0.33333333, 0.5, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, -0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00347222}, {"abc": [-0.33333333, 0.33333333, 0.25], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.25], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.25], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.25], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.25], "weight": 0.02777778}, {"abc": [-0.41666667, -0.41666667, 0.25], "weight": 0.00462963}, {"abc": [-0.33333333, 0.33333333, 0.33333333], "weight": 0.00347222}, {"abc": [-0.41666667, 0.41666667, 0.33333333], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.33333333], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.33333333], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.41666667], "weight": 0.00347222}, {"abc": [0.5, 0.5, 0.41666667], "weight": 0.00694444}, {"abc": [0.5, 0.5, 0.5], "weight": 0.0005787}]}, "nkpoints": 72, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.03975637, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-0.0, 2.0996133414177325, 2.0996133414177325], [2.099613341417732, 1.5578979453282067e-16, 2.0996133414177325], [2.099613341417732, 2.0996133414177325, 1.5578979453282067e-16]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -9.08235617, "e_wo_entrp": -9.08235617, "e_0_energy": 0.0, "forces": [[-0.0, 0.0, -0.0]], "stress": [[9.98308014, -0.0, -0.0], [0.0, 9.98308014, 0.0], [0.0, 0.0, 9.98308014]], "electronic_steps": [{"alphaZ": 102.7665752, "ewald": -1059.45086207, "hartreedc": -282.9665561, "XCdc": 31.00034771, "pawpsdc": 960.00120492, "pawaedc": -935.86768284, "eentropy": 0.0, "bandstr": -143.03048568, "atom": 1321.33482025, "e_fr_energy": -6.2126386, "e_wo_entrp": -6.2126386, "e_0_energy": -6.2126386}, {"e_fr_energy": -6.77172548, "e_wo_entrp": -6.77172548, "e_0_energy": -6.77172548}, {"e_fr_energy": -6.77175744, "e_wo_entrp": -6.77175744, "e_0_energy": -6.77175744}, {"e_fr_energy": -6.77175744, "e_wo_entrp": -6.77175744, "e_0_energy": -6.77175744}, {"e_fr_energy": -6.77175744, "e_wo_entrp": -6.77175744, "e_0_energy": -6.77175744}, {"e_fr_energy": -8.97032908, "e_wo_entrp": -8.97032908, "e_0_energy": -8.97032908}, {"e_fr_energy": -9.02248995, "e_wo_entrp": -9.02248995, "e_0_energy": -9.02248995}, {"e_fr_energy": -9.07200248, "e_wo_entrp": -9.07200248, "e_0_energy": -9.07200248}, {"e_fr_energy": -9.07369477, "e_wo_entrp": -9.07369477, "e_0_energy": -9.07369477}, {"e_fr_energy": -9.08078473, "e_wo_entrp": -9.08078473, "e_0_energy": -9.08078473}, {"e_fr_energy": -9.08140715, "e_wo_entrp": -9.08140715, "e_0_energy": -9.08140715}, {"e_fr_energy": -9.08209204, "e_wo_entrp": -9.08209204, "e_0_energy": -9.08209204}, {"e_fr_energy": -9.08229812, "e_wo_entrp": -9.08229812, "e_0_energy": -9.08229812}, {"e_fr_energy": -9.08234882, "e_wo_entrp": -9.08234882, "e_0_energy": -9.08234882}, {"alphaZ": 102.7665752, "ewald": -1059.45086207, "hartreedc": -253.62352817, "XCdc": 27.04669057, "pawpsdc": 975.72816436, "pawaedc": -955.43911562, "eentropy": 0.0, "bandstr": -167.4451007, "atom": 1321.33482025, "e_fr_energy": -9.08235617, "e_wo_entrp": -9.08235617, "e_0_energy": -9.08235617}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}}], "efermi": 5.88579312, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "energy": -9.08235617, "energy_per_atom": -9.08235617, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8858, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.004, "tot": 0.004}], "charge": [{"s": 0.357, "p": 6.238, "d": 3.077, "tot": 9.672}], "total_magnetization": 0.0054114, "nelect": 11.0000001, "is_stopped": false, "drift": [[0.0, 0.0, 0.0]], "ngf": [40, 40, 40], "sampling_radii": [0.9339], "electrostatic_potential": [-46.2951], "onsite_density_matrices": []}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-22-07-03-536165", "completed_at": "2019-09-17 18:42:07", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead6c885e35f65d5a479d8e"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead6c885e35f65d5a479d91"}}], "chemsys": "V", "completed_at": "2019-09-17 18:42:07", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "elements": ["V"], "formula_anonymous": "A", "formula_pretty": "V", "formula_reduced_abc": "V1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 11.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [50.941], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.03975637, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:50:16.362000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496272, 1.496272, 1.496272], [1.496272, -1.496272, 1.496272], [1.496272, 1.496272, -1.496272]], "a": 2.591619125942699, "b": 2.591619125942699, "c": 2.591619125942699, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.399593956465264}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": 0.004}}]}, "density": 6.312904042916114, "energy": -9.08235617, "energy_per_atom": -9.08235617, "forces": [[-0.0, 0.0, -0.0]], "stress": [[9.98308014, -0.0, -0.0], [0.0, 9.98308014, 0.0], [0.0, 0.0, 9.98308014]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 227716.0, "Elapsed time (sec)": 423.637, "System time (sec)": 4.94, "User time (sec)": 417.529, "Total CPU time used (sec)": 422.469, "cores": "64"}, "overall": {"Total CPU time used (sec)": 422.469, "User time (sec)": 417.529, "System time (sec)": 4.94, "Elapsed time (sec)": 423.637}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1440652", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae05343f7551cd85c9410d"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-22-31-04-522143", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 10]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.1, -0.0, 0.0], "genvec2": [-0.0, 0.1, 0.0], "genvec3": [0.0, 0.0, 0.1], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.001}, {"abc": [0.1, -0.0, 0.0], "weight": 0.012}, {"abc": [0.2, 0.0, -0.0], "weight": 0.012}, {"abc": [0.3, 0.0, -0.0], "weight": 0.012}, {"abc": [0.4, 0.0, -0.0], "weight": 0.012}, {"abc": [0.5, -0.0, 0.0], "weight": 0.006}, {"abc": [0.1, 0.1, 0.0], "weight": 0.024}, {"abc": [0.2, 0.1, -0.0], "weight": 0.048}, {"abc": [0.3, 0.1, -0.0], "weight": 0.048}, {"abc": [0.4, 0.1, 0.0], "weight": 0.048}, {"abc": [0.2, 0.2, -0.0], "weight": 0.024}, {"abc": [0.3, 0.2, -0.0], "weight": 0.048}, {"abc": [0.4, 0.2, 0.0], "weight": 0.024}, {"abc": [0.3, 0.3, -0.0], "weight": 0.024}, {"abc": [0.1, 0.1, 0.1], "weight": 0.008}, {"abc": [0.2, 0.1, 0.1], "weight": 0.024}, {"abc": [0.3, 0.1, 0.1], "weight": 0.024}, {"abc": [0.4, 0.1, 0.1], "weight": 0.012}, {"abc": [-0.1, 0.1, 0.1], "weight": 0.006}, {"abc": [0.2, 0.2, 0.1], "weight": 0.024}, {"abc": [0.3, 0.2, 0.1], "weight": 0.048}, {"abc": [-0.2, 0.2, 0.1], "weight": 0.024}, {"abc": [0.3, 0.3, 0.1], "weight": 0.008}, {"abc": [-0.3, 0.3, 0.1], "weight": 0.024}, {"abc": [-0.2, 0.3, 0.1], "weight": 0.024}, {"abc": [-0.4, 0.4, 0.1], "weight": 0.024}, {"abc": [-0.3, 0.4, 0.1], "weight": 0.048}, {"abc": [0.5, 0.5, 0.1], "weight": 0.012}, {"abc": [-0.4, 0.5, 0.1], "weight": 0.048}, {"abc": [-0.3, 0.5, 0.1], "weight": 0.024}, {"abc": [-0.4, -0.4, 0.1], "weight": 0.024}, {"abc": [0.2, 0.2, 0.2], "weight": 0.008}, {"abc": [0.3, 0.2, 0.2], "weight": 0.012}, {"abc": [-0.2, 0.2, 0.2], "weight": 0.006}, {"abc": [-0.3, 0.3, 0.2], "weight": 0.024}, {"abc": [-0.4, 0.4, 0.2], "weight": 0.024}, {"abc": [-0.3, 0.4, 0.2], "weight": 0.024}, {"abc": [0.5, 0.5, 0.2], "weight": 0.012}, {"abc": [-0.4, 0.5, 0.2], "weight": 0.048}, {"abc": [-0.4, -0.4, 0.2], "weight": 0.008}, {"abc": [-0.3, 0.3, 0.3], "weight": 0.006}, {"abc": [-0.4, 0.4, 0.3], "weight": 0.024}, {"abc": [0.5, 0.5, 0.3], "weight": 0.012}, {"abc": [-0.4, 0.5, 0.3], "weight": 0.024}, {"abc": [-0.4, 0.4, 0.4], "weight": 0.006}, {"abc": [0.5, 0.5, 0.4], "weight": 0.012}, {"abc": [0.5, 0.5, 0.5], "weight": 0.001}]}, "nkpoints": 47, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 3.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.07242103, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-0.0, 1.8335334141409279, 1.8335334141409279], [1.8335334141409279, 0.0, 1.8335334141409279], [1.8335334141409279, 1.8335334141409279, 0.0]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -1.90379596, "e_wo_entrp": -1.90379596, "e_0_energy": 0.0, "forces": [[-0.0, -0.0, 0.0]], "stress": [[0.07359974, -0.0, -0.0], [-0.0, 0.07359974, 0.0], [-0.0, 0.0, 0.07359974]], "electronic_steps": [{"alphaZ": 4.12068283, "ewald": -68.81568908, "hartreedc": -32.49066628, "XCdc": 10.95020524, "pawpsdc": 56.94305672, "pawaedc": -80.65727742, "eentropy": 0.0, "bandstr": -94.3584286, "atom": 202.78382624, "e_fr_energy": -1.52429036, "e_wo_entrp": -1.52429036, "e_0_energy": -1.52429036}, {"e_fr_energy": -1.59518318, "e_wo_entrp": -1.59518318, "e_0_energy": -1.59518318}, {"e_fr_energy": -1.5951852, "e_wo_entrp": -1.5951852, "e_0_energy": -1.5951852}, {"e_fr_energy": -1.5951852, "e_wo_entrp": -1.5951852, "e_0_energy": -1.5951852}, {"e_fr_energy": -1.5951852, "e_wo_entrp": -1.5951852, "e_0_energy": -1.5951852}, {"e_fr_energy": -1.83671939, "e_wo_entrp": -1.83671939, "e_0_energy": -1.83671939}, {"e_fr_energy": -1.90212546, "e_wo_entrp": -1.90212546, "e_0_energy": -1.90212546}, {"e_fr_energy": -1.90324513, "e_wo_entrp": -1.90324513, "e_0_energy": -1.90324513}, {"e_fr_energy": -1.90371382, "e_wo_entrp": -1.90371382, "e_0_energy": -1.90371382}, {"e_fr_energy": -1.90378704, "e_wo_entrp": -1.90378704, "e_0_energy": -1.90378704}, {"alphaZ": 4.12068283, "ewald": -68.81568908, "hartreedc": -32.05464541, "XCdc": 10.83991108, "pawpsdc": 60.83362558, "pawaedc": -84.60832418, "eentropy": 0.0, "bandstr": -95.00318301, "atom": 202.78382624, "e_fr_energy": -1.90379596, "e_wo_entrp": -1.90379596, "e_0_energy": -1.90379596}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}}], "efermi": -0.18296009, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "energy": -1.90379596, "energy_per_atom": -1.90379596, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.183, "magnetization": [{"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.214}], "total_magnetization": -0.0001077, "nelect": 3.0, "is_stopped": false, "drift": [[-0.0, -0.0, 0.0]], "ngf": [48, 48, 48], "sampling_radii": [0.8577], "electrostatic_potential": [-21.1939], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-22-31-04-522143", "completed_at": "2019-09-18 05:07:31", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae05345e35f65d5a47a244"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae05345e35f65d5a47a247"}}], "chemsys": "Li", "completed_at": "2019-09-18 05:07:31", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 1.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 3.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.07242103, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 23:41:40.352000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5728329870110183, "energy": -1.90379596, "energy_per_atom": -1.90379596, "forces": [[-0.0, -0.0, 0.0]], "stress": [[0.07359974, -0.0, -0.0], [-0.0, 0.07359974, 0.0], [-0.0, 0.0, 0.07359974]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 188944.0, "Elapsed time (sec)": 189.092, "System time (sec)": 4.023, "User time (sec)": 183.826, "Total CPU time used (sec)": 187.85, "cores": "64"}, "overall": {"Total CPU time used (sec)": 187.85, "User time (sec)": 183.826, "System time (sec)": 4.023, "Elapsed time (sec)": 189.092}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1440853", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae25503f7551cd85cd1e92"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-21-53-03-912331", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "All", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, -0.0, 0.0], "genvec2": [-0.0, 0.08333333, 0.0], "genvec3": [0.0, -0.0, 0.08333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.16666667, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.25, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.33333333, -0.0, 0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.0, -0.0], "weight": 0.00694444}, {"abc": [0.5, 0.0, -0.0], "weight": 0.00347222}, {"abc": [0.08333333, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [0.16666667, 0.08333333, -0.0], "weight": 0.02777778}, {"abc": [0.25, 0.08333333, -0.0], "weight": 0.02777778}, {"abc": [0.33333333, 0.08333333, 0.0], "weight": 0.02777778}, {"abc": [0.41666667, 0.08333333, 0.0], "weight": 0.02777778}, {"abc": [0.16666667, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [0.25, 0.16666667, 0.0], "weight": 0.02777778}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.02777778}, {"abc": [0.41666667, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [0.25, 0.25, -0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.0], "weight": 0.02777778}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00462963}, {"abc": [0.08333333, 0.08333333, 0.08333333], "weight": 0.00462963}, {"abc": [0.16666667, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.08333333], "weight": 0.00694444}, {"abc": [-0.08333333, 0.08333333, 0.08333333], "weight": 0.00347222}, {"abc": [0.16666667, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.33333333, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.16666667, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.25, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [-0.25, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [-0.16666667, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [-0.33333333, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [-0.25, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.25, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.08333333], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.5, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, -0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.33333333, -0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.16666667, 0.16666667, 0.16666667], "weight": 0.00462963}, {"abc": [0.25, 0.16666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.16666667], "weight": 0.00694444}, {"abc": [-0.16666667, 0.16666667, 0.16666667], "weight": 0.00347222}, {"abc": [0.25, 0.25, 0.16666667], "weight": 0.01388889}, {"abc": [-0.25, 0.25, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.25, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.16666667], "weight": 0.02777778}, {"abc": [0.5, 0.5, 0.16666667], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.16666667], "weight": 0.02777778}, {"abc": [-0.33333333, 0.5, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, -0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [0.25, 0.25, 0.25], "weight": 0.00115741}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.00347222}, {"abc": [-0.33333333, 0.33333333, 0.25], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.25], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.25], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.25], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.25], "weight": 0.02777778}, {"abc": [-0.41666667, -0.41666667, 0.25], "weight": 0.00462963}, {"abc": [-0.33333333, 0.33333333, 0.33333333], "weight": 0.00347222}, {"abc": [-0.41666667, 0.41666667, 0.33333333], "weight": 0.01388889}, {"abc": [0.5, 0.5, 0.33333333], "weight": 0.00694444}, {"abc": [-0.41666667, 0.5, 0.33333333], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.41666667], "weight": 0.00347222}, {"abc": [0.5, 0.5, 0.41666667], "weight": 0.00694444}, {"abc": [0.5, 0.5, 0.5], "weight": 0.0005787}]}, "nkpoints": 72, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 58, "IWAVPR": 10, "NBANDS": 64, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.93097409, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.449246096724032e-16, 2.2060847617089983, 2.2060847617089983], [2.2060847617089983, 1.7199061391628934e-16, 2.2060847617089983], [2.2060847617089983, 2.2060847617089983, 1.7199061391628934e-16]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.46847481, "e_wo_entrp": -8.46847481, "e_0_energy": 0.0, "forces": [[0.0, -0.0, -0.0]], "stress": [[-12.25392505, 0.0, -0.0], [0.0, -12.25392505, -0.0], [-0.0, -0.0, -12.25392505]], "electronic_steps": [{"alphaZ": 170.05075195, "ewald": -1803.16052347, "hartreedc": -585.37740681, "XCdc": 73.72782661, "pawpsdc": 1833.94670829, "pawaedc": -1922.03342509, "eentropy": 0.0, "bandstr": -231.95725385, "atom": 2456.89122314, "e_fr_energy": -7.91209922, "e_wo_entrp": -7.91209922, "e_0_energy": -7.91209922}, {"e_fr_energy": -8.30821486, "e_wo_entrp": -8.30821486, "e_0_energy": -8.30821486}, {"e_fr_energy": -8.30823145, "e_wo_entrp": -8.30823145, "e_0_energy": -8.30823145}, {"e_fr_energy": -8.30823145, "e_wo_entrp": -8.30823145, "e_0_energy": -8.30823145}, {"e_fr_energy": -8.30823145, "e_wo_entrp": -8.30823145, "e_0_energy": -8.30823145}, {"e_fr_energy": -5.74193088, "e_wo_entrp": -5.74193088, "e_0_energy": -5.74193088}, {"e_fr_energy": -8.23924281, "e_wo_entrp": -8.23924281, "e_0_energy": -8.23924281}, {"e_fr_energy": -8.34389239, "e_wo_entrp": -8.34389239, "e_0_energy": -8.34389239}, {"e_fr_energy": -8.40182593, "e_wo_entrp": -8.40182593, "e_0_energy": -8.40182593}, {"e_fr_energy": -8.41543954, "e_wo_entrp": -8.41543954, "e_0_energy": -8.41543954}, {"e_fr_energy": -8.42557082, "e_wo_entrp": -8.42557082, "e_0_energy": -8.42557082}, {"e_fr_energy": -8.42958418, "e_wo_entrp": -8.42958418, "e_0_energy": -8.42958418}, {"e_fr_energy": -8.43309377, "e_wo_entrp": -8.43309377, "e_0_energy": -8.43309377}, {"e_fr_energy": -8.43951959, "e_wo_entrp": -8.43951959, "e_0_energy": -8.43951959}, {"e_fr_energy": -8.4432741, "e_wo_entrp": -8.4432741, "e_0_energy": -8.4432741}, {"e_fr_energy": -8.44703288, "e_wo_entrp": -8.44703288, "e_0_energy": -8.44703288}, {"e_fr_energy": -8.45082511, "e_wo_entrp": -8.45082511, "e_0_energy": -8.45082511}, {"e_fr_energy": -8.4547127, "e_wo_entrp": -8.4547127, "e_0_energy": -8.4547127}, {"e_fr_energy": -8.4642255, "e_wo_entrp": -8.4642255, "e_0_energy": -8.4642255}, {"e_fr_energy": -8.46521164, "e_wo_entrp": -8.46521164, "e_0_energy": -8.46521164}, {"e_fr_energy": -8.46599341, "e_wo_entrp": -8.46599341, "e_0_energy": -8.46599341}, {"e_fr_energy": -8.46658076, "e_wo_entrp": -8.46658076, "e_0_energy": -8.46658076}, {"e_fr_energy": -8.46722956, "e_wo_entrp": -8.46722956, "e_0_energy": -8.46722956}, {"e_fr_energy": -8.46828257, "e_wo_entrp": -8.46828257, "e_0_energy": -8.46828257}, {"e_fr_energy": -8.46842712, "e_wo_entrp": -8.46842712, "e_0_energy": -8.46842712}, {"alphaZ": 170.05075195, "ewald": -1803.16052347, "hartreedc": -549.61000301, "XCdc": 70.42787394, "pawpsdc": 1859.86091182, "pawaedc": -1950.84937385, "eentropy": 0.0, "bandstr": -262.07933533, "atom": 2456.89122314, "e_fr_energy": -8.46847481, "e_wo_entrp": -8.46847481, "e_0_energy": -8.46847481}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}], "efermi": 5.11528603, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "energy": -8.46847481, "energy_per_atom": -8.46847481, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.1059, "magnetization": [{"s": -0.005, "p": -0.045, "d": 2.272, "tot": 2.222}], "charge": [{"s": 0.38, "p": 6.379, "d": 6.038, "tot": 12.797}], "total_magnetization": 2.1900356, "nelect": 14.0, "is_stopped": false, "drift": [[0.0, -0.0, 0.0]], "ngf": [36, 36, 36], "sampling_radii": [0.95], "electrostatic_potential": [-45.5221], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-21-53-03-912331", "completed_at": "2019-09-17 21:54:43", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae25505e35f65d5a47a334"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae25505e35f65d5a47a337"}}], "chemsys": "Fe", "completed_at": "2019-09-17 21:54:43", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 58, "IWAVPR": 10, "NBANDS": 64, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 18, "NGXF": 36, "NGYF": 36, "NGZF": 36, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.93097409, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "All", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 01:58:40.025000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.222}}]}, "density": 8.027685830483454, "energy": -8.46847481, "energy_per_atom": -8.46847481, "forces": [[0.0, -0.0, -0.0]], "stress": [[-12.25392505, 0.0, -0.0], [0.0, -12.25392505, -0.0], [-0.0, -0.0, -12.25392505]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 246524.0, "Elapsed time (sec)": 439.617, "System time (sec)": 9.972, "User time (sec)": 428.047, "Total CPU time used (sec)": 438.019, "cores": "64"}, "overall": {"Total CPU time used (sec)": 438.019, "User time (sec)": 428.047, "System time (sec)": 9.972, "Elapsed time (sec)": 439.617}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1440893", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae48bb3f7551cd85d137a5"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-21-47-12-378113", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "All", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, 0.0, -0.0], "genvec2": [0.0, 0.08333333, 0.0], "genvec3": [-0.0, -0.0, 0.08333333], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005787}, {"abc": [0.08333333, -0.0, 0.0], "weight": 0.00462963}, {"abc": [0.16666667, -0.0, 0.0], "weight": 0.00462963}, {"abc": [0.25, 0.0, -0.0], "weight": 0.00462963}, {"abc": [0.33333333, 0.0, -0.0], "weight": 0.00462963}, {"abc": [0.41666667, -0.0, 0.0], "weight": 0.00462963}, {"abc": [0.5, 0.0, -0.0], "weight": 0.00231481}, {"abc": [0.08333333, 0.08333333, 0.0], "weight": 0.00347222}, {"abc": [0.16666667, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.25, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.08333333, -0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [0.5, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [-0.25, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [-0.16666667, 0.08333333, 0.0], "weight": 0.01388889}, {"abc": [-0.08333333, 0.08333333, -0.0], "weight": 0.00694444}, {"abc": [0.16666667, 0.16666667, 0.0], "weight": 0.00347222}, {"abc": [0.25, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [0.5, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.16666667, 0.0], "weight": 0.01388889}, {"abc": [-0.25, 0.16666667, -0.0], "weight": 0.01388889}, {"abc": [-0.16666667, 0.16666667, -0.0], "weight": 0.00694444}, {"abc": [0.25, 0.25, 0.0], "weight": 0.00347222}, {"abc": [0.33333333, 0.25, 0.0], "weight": 0.01388889}, {"abc": [0.41666667, 0.25, -0.0], "weight": 0.01388889}, {"abc": [0.5, 0.25, 0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.25, -0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.25, -0.0], "weight": 0.01388889}, {"abc": [-0.25, 0.25, 0.0], "weight": 0.00694444}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00347222}, {"abc": [0.41666667, 0.33333333, 0.0], "weight": 0.01388889}, {"abc": [0.5, 0.33333333, -0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.33333333, 0.0], "weight": 0.01388889}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00694444}, {"abc": [0.41666667, 0.41666667, 0.0], "weight": 0.00347222}, {"abc": [0.5, 0.41666667, 0.0], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, -0.0], "weight": 0.00694444}, {"abc": [0.5, 0.5, 0.0], "weight": 0.00173611}, {"abc": [0.25, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.41666667, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [0.5, 0.16666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.16666667, 0.08333333], "weight": 0.01388889}, {"abc": [0.33333333, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [0.5, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.25, 0.25, 0.08333333], "weight": 0.02777778}, {"abc": [-0.16666667, 0.25, 0.08333333], "weight": 0.01388889}, {"abc": [0.41666667, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.41666667, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.33333333, 0.08333333], "weight": 0.02777778}, {"abc": [-0.25, 0.33333333, 0.08333333], "weight": 0.01388889}, {"abc": [0.5, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.08333333], "weight": 0.02777778}, {"abc": [-0.33333333, 0.41666667, 0.08333333], "weight": 0.01388889}, {"abc": [-0.41666667, 0.5, 0.08333333], "weight": 0.00694444}, {"abc": [0.5, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, 0.33333333, 0.16666667], "weight": 0.02777778}, {"abc": [-0.33333333, 0.33333333, 0.16666667], "weight": 0.01388889}, {"abc": [-0.41666667, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.41666667, 0.16666667], "weight": 0.02777778}, {"abc": [-0.25, 0.41666667, 0.16666667], "weight": 0.01388889}, {"abc": [-0.33333333, 0.5, 0.16666667], "weight": 0.00694444}, {"abc": [-0.25, 0.5, 0.25], "weight": 0.00347222}]}, "nkpoints": 72, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 58, "IWAVPR": 10, "NBANDS": 64, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.26832007, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.7234509990343654, 1.7234509990343654, 1.7234509990343654], [1.7234509990343654, -1.7234509990343654, 1.7234509990343654], [1.7234509990343654, 1.7234509990343654, -1.7234509990343654]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.31560958, "e_wo_entrp": -8.31560958, "e_0_energy": 0.0, "forces": [[-0.0, 0.0, 0.0]], "stress": [[-9.13032145, -0.0, 0.0], [0.0, -9.13032145, 0.0], [-0.0, 0.0, -9.13032145]], "electronic_steps": [{"alphaZ": 162.15815272, "ewald": -1774.7104064, "hartreedc": -601.0634597, "XCdc": 73.54699509, "pawpsdc": 1833.94670829, "pawaedc": -1922.03342509, "eentropy": 0.0, "bandstr": -236.70821235, "atom": 2456.89122314, "e_fr_energy": -7.9724243, "e_wo_entrp": -7.9724243, "e_0_energy": -7.9724243}, {"e_fr_energy": -8.31099395, "e_wo_entrp": -8.31099395, "e_0_energy": -8.31099395}, {"e_fr_energy": -8.31100888, "e_wo_entrp": -8.31100888, "e_0_energy": -8.31100888}, {"e_fr_energy": -8.31100889, "e_wo_entrp": -8.31100889, "e_0_energy": -8.31100889}, {"e_fr_energy": -8.31100889, "e_wo_entrp": -8.31100889, "e_0_energy": -8.31100889}, {"e_fr_energy": -5.54727078, "e_wo_entrp": -5.54727078, "e_0_energy": -5.54727078}, {"e_fr_energy": -8.1567518, "e_wo_entrp": -8.1567518, "e_0_energy": -8.1567518}, {"e_fr_energy": -8.23817237, "e_wo_entrp": -8.23817237, "e_0_energy": -8.23817237}, {"e_fr_energy": -8.02381479, "e_wo_entrp": -8.02381479, "e_0_energy": -8.02381479}, {"e_fr_energy": -8.31257627, "e_wo_entrp": -8.31257627, "e_0_energy": -8.31257627}, {"e_fr_energy": -8.31447119, "e_wo_entrp": -8.31447119, "e_0_energy": -8.31447119}, {"e_fr_energy": -8.31491669, "e_wo_entrp": -8.31491669, "e_0_energy": -8.31491669}, {"e_fr_energy": -8.31515497, "e_wo_entrp": -8.31515497, "e_0_energy": -8.31515497}, {"e_fr_energy": -8.31530874, "e_wo_entrp": -8.31530874, "e_0_energy": -8.31530874}, {"e_fr_energy": -8.3154187, "e_wo_entrp": -8.3154187, "e_0_energy": -8.3154187}, {"e_fr_energy": -8.31550158, "e_wo_entrp": -8.31550158, "e_0_energy": -8.31550158}, {"e_fr_energy": -8.31556352, "e_wo_entrp": -8.31556352, "e_0_energy": -8.31556352}, {"alphaZ": 162.15815272, "ewald": -1774.7104064, "hartreedc": -566.12810095, "XCdc": 70.51025627, "pawpsdc": 1848.53642303, "pawaedc": -1939.82061126, "eentropy": 0.0, "bandstr": -265.75254614, "atom": 2456.89122314, "e_fr_energy": -8.31560958, "e_wo_entrp": -8.31560958, "e_0_energy": -8.31560958}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}}], "efermi": 4.94995522, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "energy": -8.31560958, "energy_per_atom": -8.31560958, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 4.9474, "magnetization": [{"s": -0.007, "p": -0.039, "d": 2.637, "tot": 2.591}], "charge": [{"s": 0.372, "p": 6.352, "d": 6.005, "tot": 12.729}], "total_magnetization": 2.5663049, "nelect": 14.0000001, "is_stopped": false, "drift": [[-0.0, -0.0, -0.0]], "ngf": [40, 40, 40], "sampling_radii": [0.95], "electrostatic_potential": [-45.7857], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-21-47-12-378113", "completed_at": "2019-09-17 18:07:00", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae48bb5e35f65d5a47a460"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae48bb5e35f65d5a47a463"}}], "chemsys": "Fe", "completed_at": "2019-09-17 18:07:00", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 5e-05, "IALGO": 58, "IWAVPR": 10, "NBANDS": 64, "NELECT": 14.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.26832007, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "All", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:29:47.110000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 12]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.591}}]}, "density": 7.655095258003984, "energy": -8.31560958, "energy_per_atom": -8.31560958, "forces": [[-0.0, 0.0, 0.0]], "stress": [[-9.13032145, -0.0, 0.0], [0.0, -9.13032145, 0.0], [-0.0, 0.0, -9.13032145]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 262056.0, "Elapsed time (sec)": 834.873, "System time (sec)": 7.454, "User time (sec)": 280.427, "Total CPU time used (sec)": 287.881, "cores": "64"}, "overall": {"Total CPU time used (sec)": 287.881, "User time (sec)": 280.427, "System time (sec)": 7.454, "Elapsed time (sec)": 834.873}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1440943", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae4cf63f7551cd85d1a677"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-22-43-34-660219", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0, 5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 7]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.08333333, -0.0, 0.0], "genvec2": [-0.0, 0.08333333, 0.0], "genvec3": [0.0, 0.0, 0.14285714], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00099206}, {"abc": [0.08333333, 0.0, 0.0], "weight": 0.00595238}, {"abc": [0.16666667, 0.0, 0.0], "weight": 0.00595238}, {"abc": [0.25, -0.0, 0.0], "weight": 0.00595238}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00595238}, {"abc": [0.41666667, -0.0, 0.0], "weight": 0.00595238}, {"abc": [0.5, -0.0, 0.0], "weight": 0.00297619}, {"abc": [0.08333333, 0.08333333, 0.0], "weight": 0.00595238}, {"abc": [0.16666667, 0.08333333, 0.0], "weight": 0.01190476}, {"abc": [0.25, 0.08333333, 0.0], "weight": 0.01190476}, {"abc": [0.33333333, 0.08333333, 0.0], "weight": 0.01190476}, {"abc": [0.41666667, 0.08333333, 0.0], "weight": 0.01190476}, {"abc": [0.16666667, 0.16666667, 0.0], "weight": 0.00595238}, {"abc": [0.25, 0.16666667, 0.0], "weight": 0.01190476}, {"abc": [0.33333333, 0.16666667, 0.0], "weight": 0.01190476}, {"abc": [0.41666667, 0.16666667, 0.0], "weight": 0.00595238}, {"abc": [0.25, 0.25, 0.0], "weight": 0.00595238}, {"abc": [0.33333333, 0.25, 0.0], "weight": 0.01190476}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00198413}, {"abc": [0.0, 0.0, 0.14285714], "weight": 0.00198413}, {"abc": [0.08333333, 0.0, 0.14285714], "weight": 0.01190476}, {"abc": [0.16666667, 0.0, 0.14285714], "weight": 0.01190476}, {"abc": [0.25, -0.0, 0.14285714], "weight": 0.01190476}, {"abc": [0.33333333, 0.0, 0.14285714], "weight": 0.01190476}, {"abc": [0.41666667, -0.0, 0.14285714], "weight": 0.01190476}, {"abc": [0.5, -0.0, 0.14285714], "weight": 0.00595238}, {"abc": [0.08333333, 0.08333333, 0.14285714], "weight": 0.01190476}, {"abc": [0.16666667, 0.08333333, 0.14285714], "weight": 0.02380952}, {"abc": [0.25, 0.08333333, 0.14285714], "weight": 0.02380952}, {"abc": [0.33333333, 0.08333333, 0.14285714], "weight": 0.02380952}, {"abc": [0.41666667, 0.08333333, 0.14285714], "weight": 0.02380952}, {"abc": [0.16666667, 0.16666667, 0.14285714], "weight": 0.01190476}, {"abc": [0.25, 0.16666667, 0.14285714], "weight": 0.02380952}, {"abc": [0.33333333, 0.16666667, 0.14285714], "weight": 0.02380952}, {"abc": [0.41666667, 0.16666667, 0.14285714], "weight": 0.01190476}, {"abc": [0.25, 0.25, 0.14285714], "weight": 0.01190476}, {"abc": [0.33333333, 0.25, 0.14285714], "weight": 0.02380952}, {"abc": [0.33333333, 0.33333333, 0.14285714], "weight": 0.00396825}, {"abc": [0.0, 0.0, 0.28571429], "weight": 0.00198413}, {"abc": [0.08333333, 0.0, 0.28571429], "weight": 0.01190476}, {"abc": [0.16666667, 0.0, 0.28571429], "weight": 0.01190476}, {"abc": [0.25, -0.0, 0.28571429], "weight": 0.01190476}, {"abc": [0.33333333, 0.0, 0.28571429], "weight": 0.01190476}, {"abc": [0.41666667, -0.0, 0.28571429], "weight": 0.01190476}, {"abc": [0.5, -0.0, 0.28571429], "weight": 0.00595238}, {"abc": [0.08333333, 0.08333333, 0.28571429], "weight": 0.01190476}, {"abc": [0.16666667, 0.08333333, 0.28571429], "weight": 0.02380952}, {"abc": [0.25, 0.08333333, 0.28571429], "weight": 0.02380952}, {"abc": [0.33333333, 0.08333333, 0.28571429], "weight": 0.02380952}, {"abc": [0.41666667, 0.08333333, 0.28571429], "weight": 0.02380952}, {"abc": [0.16666667, 0.16666667, 0.28571429], "weight": 0.01190476}, {"abc": [0.25, 0.16666667, 0.28571429], "weight": 0.02380952}, {"abc": [0.33333333, 0.16666667, 0.28571429], "weight": 0.02380952}, {"abc": [0.41666667, 0.16666667, 0.28571429], "weight": 0.01190476}, {"abc": [0.25, 0.25, 0.28571429], "weight": 0.01190476}, {"abc": [0.33333333, 0.25, 0.28571429], "weight": 0.02380952}, {"abc": [0.33333333, 0.33333333, 0.28571429], "weight": 0.00396825}, {"abc": [0.0, 0.0, 0.42857143], "weight": 0.00198413}, {"abc": [0.08333333, 0.0, 0.42857143], "weight": 0.01190476}, {"abc": [0.16666667, 0.0, 0.42857143], "weight": 0.01190476}, {"abc": [0.25, -0.0, 0.42857143], "weight": 0.01190476}, {"abc": [0.33333333, 0.0, 0.42857143], "weight": 0.01190476}, {"abc": [0.41666667, -0.0, 0.42857143], "weight": 0.01190476}, {"abc": [0.5, -0.0, 0.42857143], "weight": 0.00595238}, {"abc": [0.08333333, 0.08333333, 0.42857143], "weight": 0.01190476}, {"abc": [0.16666667, 0.08333333, 0.42857143], "weight": 0.02380952}, {"abc": [0.25, 0.08333333, 0.42857143], "weight": 0.02380952}, {"abc": [0.33333333, 0.08333333, 0.42857143], "weight": 0.02380952}, {"abc": [0.41666667, 0.08333333, 0.42857143], "weight": 0.02380952}, {"abc": [0.16666667, 0.16666667, 0.42857143], "weight": 0.01190476}, {"abc": [0.25, 0.16666667, 0.42857143], "weight": 0.02380952}, {"abc": [0.33333333, 0.16666667, 0.42857143], "weight": 0.02380952}, {"abc": [0.41666667, 0.16666667, 0.42857143], "weight": 0.01190476}, {"abc": [0.25, 0.25, 0.42857143], "weight": 0.01190476}, {"abc": [0.33333333, 0.25, 0.42857143], "weight": 0.02380952}, {"abc": [0.33333333, 0.33333333, 0.42857143], "weight": 0.00396825}]}, "nkpoints": 76, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0, 5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.16081266, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.548178046481317, -1.471191512245578, 0.0], [2.548178046481317, 1.4711915122455783, 0.0], [0.0, 0.0, 1.610993845220847]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74429473, "e_wo_entrp": -16.74429473, "e_0_energy": 0.0, "forces": [[0.0, -0.0, -0.0], [-0.0, 0.0, 0.0]], "stress": [[-19.33171125, 0.0, -0.0], [0.0, -19.33170518, 0.0], [0.0, 0.0, -19.14467404]], "electronic_steps": [{"alphaZ": 382.61749609, "ewald": -3749.78513564, "hartreedc": -76.79589586, "XCdc": 99.38257816, "pawpsdc": 1903.3349486, "pawaedc": -1953.28576575, "eentropy": 0.0, "bandstr": -2640.90596366, "atom": 4913.78244629, "e_fr_energy": -1121.65529178, "e_wo_entrp": -1121.65529178, "e_0_energy": -1121.65529178}, {"e_fr_energy": -1125.39873539, "e_wo_entrp": -1125.39873539, "e_0_energy": -1125.39873539}, {"e_fr_energy": -1125.40072665, "e_wo_entrp": -1125.40072665, "e_0_energy": -1125.40072665}, {"e_fr_energy": -1125.4007272, "e_wo_entrp": -1125.4007272, "e_0_energy": -1125.4007272}, {"e_fr_energy": -1125.4007272, "e_wo_entrp": -1125.4007272, "e_0_energy": -1125.4007272}, {"e_fr_energy": -220.99074435, "e_wo_entrp": -220.99074435, "e_0_energy": -220.99074435}, {"e_fr_energy": -199.6722615, "e_wo_entrp": -199.6722615, "e_0_energy": -199.6722615}, {"e_fr_energy": -20.27457778, "e_wo_entrp": -20.27457778, "e_0_energy": -20.27457778}, {"e_fr_energy": -18.04803148, "e_wo_entrp": -18.04803148, "e_0_energy": -18.04803148}, {"e_fr_energy": -17.21390087, "e_wo_entrp": -17.21390087, "e_0_energy": -17.21390087}, {"e_fr_energy": -16.74697243, "e_wo_entrp": -16.74697243, "e_0_energy": -16.74697243}, {"e_fr_energy": -16.7551455, "e_wo_entrp": -16.7551455, "e_0_energy": -16.7551455}, {"e_fr_energy": -16.74907186, "e_wo_entrp": -16.74907186, "e_0_energy": -16.74907186}, {"e_fr_energy": -16.74497198, "e_wo_entrp": -16.74497198, "e_0_energy": -16.74497198}, {"e_fr_energy": -16.74427279, "e_wo_entrp": -16.74427279, "e_0_energy": -16.74427279}, {"alphaZ": 382.61749609, "ewald": -3749.78513564, "hartreedc": -1019.85024194, "XCdc": 140.26228618, "pawpsdc": 3787.68985202, "pawaedc": -3968.26796532, "eentropy": 0.0, "bandstr": -503.1930324, "atom": 4913.78244629, "e_fr_energy": -16.74429473, "e_wo_entrp": -16.74429473, "e_0_energy": -16.74429473}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {}}]}}], "efermi": 6.25229749, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {}}]}, "energy": -16.74429473, "energy_per_atom": -8.372147365, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.2523, "magnetization": [{"s": 0.0, "p": 0.0, "d": -0.003, "tot": -0.003}, {"s": 0.0, "p": 0.0, "d": -0.003, "tot": -0.003}], "charge": [{"s": 0.423, "p": 6.457, "d": 6.117, "tot": 12.997}, {"s": 0.423, "p": 6.457, "d": 6.117, "tot": 12.997}], "total_magnetization": -0.0086197, "nelect": 28.0000003, "is_stopped": false, "drift": [[0.0, 0.000411, -7.3e-05]], "ngf": [36, 36, 60], "sampling_radii": [0.95], "electrostatic_potential": [-44.8601, -44.8602], "onsite_density_matrices": []}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-21-42-26-272215/launcher_2019-09-17-22-43-34-660219", "completed_at": "2019-09-18 06:19:05", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae4cf65e35f65d5a47a484"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae4cf65e35f65d5a47a487"}}], "chemsys": "Fe", "completed_at": "2019-09-18 06:19:05", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "elements": ["Fe"], "formula_anonymous": "A", "formula_pretty": "Fe", "formula_reduced_abc": "Fe1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 0.0001, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 28.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0, 5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 3.9e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.001, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [55.847], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.16081266, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0001, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0, 5.0], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 04:47:50.518000"}, "nelements": 1, "nsites": 2, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0001, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5.0, 5.0], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[12, 12, 7]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.232878, -2.135407, 0.0], [1.232878, 2.135407, 0.0], [0.0, 0.0, 3.900192]], "a": 2.4657557094191223, "b": 2.4657557094191223, "c": 3.900192, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999220333288, "volume": 20.536042183882355}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.232878, 0.711803756938, 0.975048], "label": "Fe", "properties": {"magmom": -0.003}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.232878, -0.711803756938, 2.925144], "label": "Fe", "properties": {"magmom": -0.003}}]}, "density": 9.03122455085898, "energy": -16.74429473, "energy_per_atom": -8.372147365, "forces": [[0.0, -0.0, -0.0], [-0.0, 0.0, 0.0]], "stress": [[-19.33171125, 0.0, -0.0], [0.0, -19.33170518, 0.0], [0.0, 0.0, -19.14467404]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 220824.0, "Elapsed time (sec)": 373.061, "System time (sec)": 5.793, "User time (sec)": 364.99, "Total CPU time used (sec)": 370.783, "cores": "64"}, "overall": {"Total CPU time used (sec)": 370.783, "User time (sec)": 364.99, "System time (sec)": 5.793, "Elapsed time (sec)": 373.061}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1440949", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead6b0e3f7551cd85b67d30"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-18-08-15-27-481757/launcher_2019-09-18-09-43-12-543446", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.015532009732301226, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 8, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0004, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[5, 5, 5]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.2, -0.0, 0.0], "genvec2": [-0.0, 0.2, 0.0], "genvec3": [0.0, -0.0, 0.2], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.008}, {"abc": [0.2, -0.0, 0.0], "weight": 0.096}, {"abc": [0.4, -0.0, 0.0], "weight": 0.096}, {"abc": [0.2, 0.2, -0.0], "weight": 0.192}, {"abc": [0.4, 0.2, 0.0], "weight": 0.192}, {"abc": [0.2, 0.2, 0.2], "weight": 0.064}, {"abc": [-0.2, 0.2, 0.2], "weight": 0.048}, {"abc": [-0.4, 0.4, 0.2], "weight": 0.192}, {"abc": [-0.4, -0.4, 0.2], "weight": 0.064}, {"abc": [-0.4, 0.4, 0.4], "weight": 0.048}]}, "nkpoints": 10, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.0004, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 24.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.56e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 48, "NGY": 48, "NGZ": 48, "NGXF": 96, "NGYF": 96, "NGZF": 96, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.004, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.11084751, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-0.0, 0.9157960773629679, 0.9157960773629679], [0.9157960773629679, 0.0, 0.9157960773629679], [0.9157960773629679, 0.9157960773629679, 0.0]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 0.0], "xyz": [-0.04096643389999999, 0.04096643389999999, 3.4714164339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.011942], "xyz": [-1.6742585661, 1.7561914339, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.511942], "xyz": [0.04096643389999999, 3.4714164339, -0.04096643389999999], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -15.18856493, "e_wo_entrp": -15.18856493, "e_0_energy": 0.0, "forces": [[-0.00896741, 0.00896741, 0.00896741], [0.00896741, -0.00896741, 0.00896741], [-0.00896741, -0.00896741, -0.00896741], [0.00896741, -0.00896741, 0.00896741], [-0.00896741, 0.00896741, 0.00896741], [-0.00896741, -0.00896741, -0.00896741], [0.00896741, 0.00896741, -0.00896741], [0.00896741, 0.00896741, -0.00896741]], "stress": [[-0.58200754, 0.0, -0.0], [0.0, -0.58200754, 0.0], [-0.0, 0.0, -0.58200754]], "electronic_steps": [{"alphaZ": 9.12373123, "ewald": -549.91427895, "hartreedc": -23.578522, "XCdc": 54.81691479, "pawpsdc": 109.4174555, "pawaedc": -117.3854093, "eentropy": 0.0, "bandstr": -1223.57547546, "atom": 1622.18277558, "e_fr_energy": -118.91280862, "e_wo_entrp": -118.91280862, "e_0_energy": -118.91280862}, {"e_fr_energy": -232.8716494, "e_wo_entrp": -232.8716494, "e_0_energy": -232.8716494}, {"e_fr_energy": -235.12432131, "e_wo_entrp": -235.12432131, "e_0_energy": -235.12432131}, {"e_fr_energy": -235.1604662, "e_wo_entrp": -235.1604662, "e_0_energy": -235.1604662}, {"e_fr_energy": -235.16048825, "e_wo_entrp": -235.16048825, "e_0_energy": -235.16048825}, {"e_fr_energy": -87.35853596, "e_wo_entrp": -87.35853596, "e_0_energy": -87.35853596}, {"e_fr_energy": -14.83571382, "e_wo_entrp": -14.83571382, "e_0_energy": -14.83571382}, {"e_fr_energy": -15.03354136, "e_wo_entrp": -15.03354136, "e_0_energy": -15.03354136}, {"e_fr_energy": -15.10476848, "e_wo_entrp": -15.10476848, "e_0_energy": -15.10476848}, {"e_fr_energy": -15.18756197, "e_wo_entrp": -15.18756197, "e_0_energy": -15.18756197}, {"e_fr_energy": -15.18846052, "e_wo_entrp": -15.18846052, "e_0_energy": -15.18846052}, {"alphaZ": 9.12373123, "ewald": -549.91427895, "hartreedc": -329.67112963, "XCdc": 96.53975777, "pawpsdc": 550.6482127, "pawaedc": -674.38733415, "eentropy": 0.0, "bandstr": -739.71029948, "atom": 1622.18277558, "e_fr_energy": -15.18856493, "e_wo_entrp": -15.18856493, "e_0_energy": -15.18856493}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 0.0], "xyz": [-0.04096643389999999, 0.04096643389999999, 3.4714164339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.011942], "xyz": [-1.6742585661, 1.7561914339, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.511942], "xyz": [0.04096643389999999, 3.4714164339, -0.04096643389999999], "label": "Li", "properties": {}}]}}], "efermi": 0.5996599, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 0.0], "xyz": [-0.04096643389999999, 0.04096643389999999, 3.4714164339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.011942], "xyz": [-1.6742585661, 1.7561914339, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.511942], "xyz": [0.04096643389999999, 3.4714164339, -0.04096643389999999], "label": "Li", "properties": {}}]}, "energy": -15.18856493, "energy_per_atom": -1.89857061625, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 0.5997, "magnetization": [{"s": -0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": 0.0, "d": 0.0, "tot": -0.0}, {"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": -0.0, "d": 0.0, "tot": 0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}, {"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.032, "p": 0.041, "d": 0.0, "tot": 2.074}, {"s": 2.033, "p": 0.042, "d": 0.0, "tot": 2.074}, {"s": 2.033, "p": 0.041, "d": 0.0, "tot": 2.074}, {"s": 2.032, "p": 0.041, "d": 0.0, "tot": 2.074}, {"s": 2.033, "p": 0.041, "d": 0.0, "tot": 2.074}, {"s": 2.033, "p": 0.041, "d": 0.0, "tot": 2.074}, {"s": 2.034, "p": 0.043, "d": 0.0, "tot": 2.076}, {"s": 2.034, "p": 0.042, "d": 0.0, "tot": 2.076}], "total_magnetization": 3.85e-05, "nelect": 24.0000001, "is_stopped": false, "drift": [[0.0, 0.0, 0.0]], "ngf": [96, 96, 96], "sampling_radii": [0.7079], "electrostatic_potential": [-64.9639, -64.9639, -64.9639, -64.9639, -64.9639, -64.9639, -64.9639, -64.9639], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 8.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-18-08-15-27-481757/launcher_2019-09-18-09-43-12-543446", "completed_at": "2019-09-20 02:00:38", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead6b0e0a5f70f0ea479d82"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5ead6b0e0a5f70f0ea479d85"}}], "chemsys": "Li", "completed_at": "2019-09-20 02:00:38", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 8.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 0.0], "xyz": [-0.04096643389999999, 0.04096643389999999, 3.4714164339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.011942], "xyz": [-1.6742585661, 1.7561914339, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.511942], "xyz": [0.04096643389999999, 3.4714164339, -0.04096643389999999], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 10Sep2004", "hash": "8245d7383d7556214082aa40a887cd96"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 628.945, "EDIFF": 0.0004, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 24.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 1.56e-06, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 48, "NGY": 48, "NGZ": 48, "NGXF": 96, "NGYF": 96, "NGZF": 96, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.004, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.11084751, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 0.0004, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-02 12:43:58.518000"}, "nelements": 1, "nsites": 8, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 0.0004, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 1.0], "xyz": [3.3894835661, 3.4714164339, 0.04096643389999999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 1.0, 0.011942], "xyz": [1.7561914339, -1.6742585661, 5.104708566099999], "label": "Li", "properties": {}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 1.0, 0.511942], "xyz": [3.4714164339, 0.04096643389999999, 3.3894835661], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li8"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[5, 5, 5]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.43045, 3.43045, 3.43045], [3.43045, -3.43045, 3.43045], [3.43045, 3.43045, -3.43045]], "a": 5.9417136928246554, "b": 5.9417136928246554, "c": 5.9417136928246554, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.4779667952645}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.011942, 0.5, 0.0], "xyz": [1.6742585661, -1.6742585661, 1.7561914339], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.011942, 0.5], "xyz": [1.7561914339, 1.6742585661, -1.6742585661], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988058, 0.988058, 0.988058], "xyz": [3.3894835661, 3.3894835661, 3.3894835661], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.511942, 0.5], "xyz": [3.4714164339, -0.04096643389999999, 0.04096643389999999], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511942, 0.5, 0.0], "xyz": [-0.04096643389999999, 0.04096643389999999, 3.4714164339], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.488058, 0.488058, 0.488058], "xyz": [1.6742585661, 1.6742585661, 1.6742585661], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.011942], "xyz": [-1.6742585661, 1.7561914339, 1.6742585661], "label": "Li", "properties": {"magmom": -0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.511942], "xyz": [0.04096643389999999, 3.4714164339, -0.04096643389999999], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5710154463801983, "energy": -15.18856493, "energy_per_atom": -1.89857061625, "forces": [[-0.00896741, 0.00896741, 0.00896741], [0.00896741, -0.00896741, 0.00896741], [-0.00896741, -0.00896741, -0.00896741], [0.00896741, -0.00896741, 0.00896741], [-0.00896741, 0.00896741, 0.00896741], [-0.00896741, -0.00896741, -0.00896741], [0.00896741, 0.00896741, -0.00896741], [0.00896741, 0.00896741, -0.00896741]], "stress": [[-0.58200754, 0.0, -0.0], [0.0, -0.58200754, 0.0], [-0.0, 0.0, -0.58200754]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "I-43d", "number": 220, "point_group": "-43m", "crystal_system": "cubic", "hall": "I -4bd 2c 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 206728.0, "Elapsed time (sec)": 118.359, "System time (sec)": 13.159, "User time (sec)": 102.318, "Total CPU time used (sec)": 115.476, "cores": "64"}, "overall": {"Total CPU time used (sec)": 115.476, "User time (sec)": 102.318, "System time (sec)": 13.159, "Elapsed time (sec)": 118.359}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1441635", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae9d3a3f7551cd85d9d9a6"}, "dir_name": "cori06:/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-23-45-49-263550/launcher_2019-09-17-23-54-48-005589", "analysis": {"delta_volume": 0.0, "delta_volume_as_percent": 0.0, "max_force": 0.0, "warnings": [], "errors": []}, "calcs_reversed": [{"vasp_version": "5.4.4.18Apr17-6-g9f103f2a35", "has_vasp_completed": true, "nsites": 1, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 10]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.1, -0.0, 0.0], "genvec2": [-0.0, 0.1, -0.0], "genvec3": [0.0, 0.0, 0.1], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.001}, {"abc": [0.1, -0.0, 0.0], "weight": 0.008}, {"abc": [0.2, 0.0, -0.0], "weight": 0.008}, {"abc": [0.3, -0.0, 0.0], "weight": 0.008}, {"abc": [0.4, 0.0, -0.0], "weight": 0.008}, {"abc": [0.5, -0.0, 0.0], "weight": 0.004}, {"abc": [0.1, 0.1, 0.0], "weight": 0.006}, {"abc": [0.2, 0.1, 0.0], "weight": 0.024}, {"abc": [0.3, 0.1, 0.0], "weight": 0.024}, {"abc": [0.4, 0.1, 0.0], "weight": 0.024}, {"abc": [0.5, 0.1, 0.0], "weight": 0.024}, {"abc": [-0.4, 0.1, 0.0], "weight": 0.024}, {"abc": [-0.3, 0.1, -0.0], "weight": 0.024}, {"abc": [-0.2, 0.1, -0.0], "weight": 0.024}, {"abc": [-0.1, 0.1, -0.0], "weight": 0.012}, {"abc": [0.2, 0.2, 0.0], "weight": 0.006}, {"abc": [0.3, 0.2, 0.0], "weight": 0.024}, {"abc": [0.4, 0.2, 0.0], "weight": 0.024}, {"abc": [0.5, 0.2, 0.0], "weight": 0.024}, {"abc": [-0.4, 0.2, 0.0], "weight": 0.024}, {"abc": [-0.3, 0.2, -0.0], "weight": 0.024}, {"abc": [-0.2, 0.2, 0.0], "weight": 0.012}, {"abc": [0.3, 0.3, 0.0], "weight": 0.006}, {"abc": [0.4, 0.3, 0.0], "weight": 0.024}, {"abc": [0.5, 0.3, 0.0], "weight": 0.024}, {"abc": [-0.4, 0.3, -0.0], "weight": 0.024}, {"abc": [-0.3, 0.3, -0.0], "weight": 0.012}, {"abc": [0.4, 0.4, 0.0], "weight": 0.006}, {"abc": [0.5, 0.4, 0.0], "weight": 0.024}, {"abc": [-0.4, 0.4, 0.0], "weight": 0.012}, {"abc": [0.5, 0.5, 0.0], "weight": 0.003}, {"abc": [0.3, 0.2, 0.1], "weight": 0.024}, {"abc": [0.4, 0.2, 0.1], "weight": 0.048}, {"abc": [0.5, 0.2, 0.1], "weight": 0.048}, {"abc": [-0.4, 0.2, 0.1], "weight": 0.024}, {"abc": [0.4, 0.3, 0.1], "weight": 0.024}, {"abc": [0.5, 0.3, 0.1], "weight": 0.048}, {"abc": [-0.4, 0.3, 0.1], "weight": 0.048}, {"abc": [-0.3, 0.3, 0.1], "weight": 0.048}, {"abc": [-0.2, 0.3, 0.1], "weight": 0.024}, {"abc": [0.5, 0.4, 0.1], "weight": 0.024}, {"abc": [-0.4, 0.4, 0.1], "weight": 0.048}, {"abc": [-0.3, 0.4, 0.1], "weight": 0.024}, {"abc": [-0.4, 0.5, 0.1], "weight": 0.012}, {"abc": [-0.4, 0.4, 0.2], "weight": 0.024}, {"abc": [-0.3, 0.4, 0.2], "weight": 0.024}, {"abc": [-0.3, 0.5, 0.2], "weight": 0.012}]}, "nkpoints": 47, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 3.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.09231143, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.454478078650055, 1.454478078650055, 1.454478078650055], [1.454478078650055, -1.454478078650055, 1.454478078650055], [1.454478078650055, 1.454478078650055, -1.454478078650055]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}}, "output": {"ionic_steps": [{"e_fr_energy": -1.90603016, "e_wo_entrp": -1.90603016, "e_0_energy": 0.0, "forces": [[-0.0, 0.0, -0.0]], "stress": [[-0.61309373, -0.0, -0.0], [0.0, -0.61309373, -0.0], [-0.0, 0.0, -0.61309373]], "electronic_steps": [{"alphaZ": 4.1139048, "ewald": -68.77366581, "hartreedc": -32.51457237, "XCdc": 10.94925137, "pawpsdc": 56.94305672, "pawaedc": -80.65727742, "eentropy": 0.0, "bandstr": -94.38524247, "atom": 202.78382624, "e_fr_energy": -1.54071896, "e_wo_entrp": -1.54071896, "e_0_energy": -1.54071896}, {"e_fr_energy": -1.59776329, "e_wo_entrp": -1.59776329, "e_0_energy": -1.59776329}, {"e_fr_energy": -1.59776488, "e_wo_entrp": -1.59776488, "e_0_energy": -1.59776488}, {"e_fr_energy": -1.59776488, "e_wo_entrp": -1.59776488, "e_0_energy": -1.59776488}, {"e_fr_energy": -1.59776488, "e_wo_entrp": -1.59776488, "e_0_energy": -1.59776488}, {"e_fr_energy": -1.83891861, "e_wo_entrp": -1.83891861, "e_0_energy": -1.83891861}, {"e_fr_energy": -1.90433285, "e_wo_entrp": -1.90433285, "e_0_energy": -1.90433285}, {"e_fr_energy": -1.90546273, "e_wo_entrp": -1.90546273, "e_0_energy": -1.90546273}, {"e_fr_energy": -1.90596143, "e_wo_entrp": -1.90596143, "e_0_energy": -1.90596143}, {"e_fr_energy": -1.90602242, "e_wo_entrp": -1.90602242, "e_0_energy": -1.90602242}, {"alphaZ": 4.1139048, "ewald": -68.77366581, "hartreedc": -32.07559523, "XCdc": 10.83908315, "pawpsdc": 60.83331524, "pawaedc": -84.60353664, "eentropy": 0.0, "bandstr": -95.0233619, "atom": 202.78382624, "e_fr_energy": -1.90603016, "e_wo_entrp": -1.90603016, "e_0_energy": -1.90603016}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}}], "efermi": -0.21977173, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "energy": -1.90603016, "energy_per_atom": -1.90603016, "is_metal": true, "direct_gap": 0.0, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2198, "magnetization": [{"s": -0.0, "p": -0.0, "d": 0.0, "tot": -0.0}], "charge": [{"s": 2.106, "p": 0.108, "d": 0.0, "tot": 2.214}], "total_magnetization": -0.0014506, "nelect": 3.0, "is_stopped": false, "drift": [[0.0, -0.0, -0.0]], "ngf": [48, 48, 48], "sampling_radii": [0.8577], "electrostatic_potential": [-21.2007], "onsite_density_matrices": []}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/cscratch1/sd/huck/jmunro_static_calculations/block_2019-09-17-23-45-49-263550/launcher_2019-09-17-23-54-48-005589", "completed_at": "2019-09-18 08:27:06", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae9d3a0a5f70f0ea47a74e"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5eae9d3a0a5f70f0ea47a751"}}], "chemsys": "Li", "completed_at": "2019-09-18 08:27:06", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 1.0}, "elements": ["Li"], "formula_anonymous": "A", "formula_pretty": "Li", "formula_reduced_abc": "Li1", "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": true, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 5e-05, "IALGO": 38, "IWAVPR": 10, "NBANDS": 64, "NELECT": 3.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": -5, "SIGMA": 0.05, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": true, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": false, "WEIMIN": 0.0, "EBREAK": 2e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MIXFIRST": false, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": true, "NSW": 0, "IBRION": -1, "MDALGO": 0, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 0.0005, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": 11, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LDOWNSAMPLE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": true, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 64, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "ISPECIAL": 0, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LSYMGRAD": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "MCALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "NBANDSGWLOW": 0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.09231143, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "DEG_THRESHOLD": 0.002, "RTIME": -0.1, "WPLASMAI": 0.0, "DFIELD": [0.0, 0.0, 0.0], "WPLASMA": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LRPAFORCE": false, "LFXC": false, "LHARTREE": true, "IBSE": 0, "KPOINT": [-1, 0, 0, 0], "LTCTE": false, "LTETE": false, "LTRIPLET": false, "LFXCEPS": false, "LFXHEG": false, "NATURALO": 2, "L2ORDER": false, "LMP2LT": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "NELMHF": 1, "DIM": 3, "ANTIRES": 0, "OMEGAMIN": -30.0, "OMEGATL": -200.0, "OMEGAGRID": 140, "SELFENERGY": false, "LSPECTRAL": false, "LSPECTRALGW": false, "LSINGLES": false, "LFERMIGW": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 2800, "TELESCOPE": 0, "TAUPAR": 1, "OMEGAPAR": -1, "LAMBDA": 1.0, "OFIELD_KAPPA": 0.0, "OFIELD_K": [0.0, 0.0, 0.0], "OFIELD_Q6_NEAR": 0.0, "OFIELD_Q6_FAR": 0.0, "OFIELD_A": 0.0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ADDGRID": true, "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 5e-05, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.05, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": 11, "LELF": true, "LASPH": true, "LAECHG": true, "KPOINT_BSE": [-1, 0, 0, 0]}}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2020-05-03 10:30:18.729000"}, "nelements": 1, "nsites": 1, "orig_inputs": {"incar": {"ADDGRID": true, "ALGO": "Normal", "EDIFF": 5e-05, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LASPH": true, "LCHARG": true, "LELF": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6], "NELM": 100, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.05, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {}}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[10, 10, 10]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.159945, 2.159945], [2.159945, 0.0, 2.159945], [2.159945, 2.159945, 0.0]], "a": 3.054623512979955, "b": 3.054623512979955, "c": 3.054623512979955, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.153852391203667}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": -0.0}}]}, "density": 0.5718907451312455, "energy": -1.90603016, "energy_per_atom": -1.90603016, "forces": [[-0.0, 0.0, -0.0]], "stress": [[-0.61309373, -0.0, -0.0], [0.0, -0.61309373, -0.0], [-0.0, 0.0, -0.61309373]], "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "direct_gap": 0.0, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 188676.0, "Elapsed time (sec)": 183.672, "System time (sec)": 3.812, "User time (sec)": 178.747, "Total CPU time used (sec)": 182.559, "cores": "64"}, "overall": {"Total CPU time used (sec)": 182.559, "User time (sec)": 178.747, "System time (sec)": 3.812, "Elapsed time (sec)": 183.672}}, "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"], "schema": {"code": "atomate", "version": "0.9.4"}, "state": "successful", "tags": ["jmunro_static_calculations", "mp_2020", "prod"], "task_id": "mp-1442053", "transformations": {}}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc792c72e927b78dbe4612a"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2014-09-02-10-06-15-663408/launcher_2014-11-05-18-27-21-173644", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 11, 11]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.09090909, 0.0, 0.0], "genvec2": [0.0, 0.09090909, 0.0], "genvec3": [0.0, 0.0, 0.09090909], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.45454545], "weight": 0.00150263}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 14, "NELECT": 14.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 40, "NGY": 40, "NGZ": 40, "NGXF": 80, "NGYF": 80, "NGZF": 80, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": true, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 72.51801855, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[1.2708129802303871, 0.0, 0.0], [0.0, 1.2708129802303871, 0.0], [0.0, 0.0, 1.2708129802303871]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -3.72343689, "e_wo_entrp": -3.71574844, "e_0_energy": -0.02306535, "forces": [[0.0, -3e-08, 8e-08]], "stress": [[-7.27836219, -7.152e-05, -0.00097498], [-8.614e-05, -7.2009113, 0.00040611], [-0.00097725, 0.00038885, -7.24742678]], "electronic_steps": [{"alphaZ": 16.25275179, "ewald": -809.82055652, "hartreedc": -1296.31421174, "XCdc": 70.77624439, "pawpsdc": 1833.94670829, "pawaedc": -1922.03342509, "eentropy": 0.00039094, "bandstr": -293.16962332, "atom": 2456.89122314, "e_fr_energy": 56.52950189, "e_wo_entrp": 56.52911095, "e_0_energy": 56.52937158}, {"e_fr_energy": -1.96945144, "e_wo_entrp": -1.95519246, "e_0_energy": -1.96469845}, {"e_fr_energy": -3.99270197, "e_wo_entrp": -3.97608556, "e_0_energy": -3.98716317}, {"e_fr_energy": -4.04789575, "e_wo_entrp": -4.03032051, "e_0_energy": -4.04203733}, {"e_fr_energy": -4.05045986, "e_wo_entrp": -4.03284058, "e_0_energy": -4.04458677}, {"e_fr_energy": -5.5856037, "e_wo_entrp": -5.46004496, "e_0_energy": -5.54375079}, {"e_fr_energy": -3.22522541, "e_wo_entrp": -3.17472869, "e_0_energy": -3.20839317}, {"e_fr_energy": -3.65862918, "e_wo_entrp": -3.64381477, "e_0_energy": -3.65369104}, {"e_fr_energy": -3.64464969, "e_wo_entrp": -3.62934378, "e_0_energy": -3.63954772}, {"e_fr_energy": -3.52227269, "e_wo_entrp": -3.49926859, "e_0_energy": -3.51460466}, {"e_fr_energy": -3.7269896, "e_wo_entrp": -3.69825574, "e_0_energy": -3.71741164}, {"e_fr_energy": -3.72087118, "e_wo_entrp": -3.69292465, "e_0_energy": -3.71155567}, {"e_fr_energy": -3.72088017, "e_wo_entrp": -3.69472353, "e_0_energy": -3.71216129}, {"e_fr_energy": -3.72074846, "e_wo_entrp": -3.69475833, "e_0_energy": -3.71208508}, {"e_fr_energy": -3.72155849, "e_wo_entrp": -3.69668985, "e_0_energy": -3.71326894}, {"e_fr_energy": -3.7225273, "e_wo_entrp": -3.69839634, "e_0_energy": -3.71448365}, {"e_fr_energy": -3.72294602, "e_wo_entrp": -3.69908426, "e_0_energy": -3.7149921}, {"e_fr_energy": -3.72300424, "e_wo_entrp": -3.69914642, "e_0_energy": -3.71505164}, {"e_fr_energy": -3.72324766, "e_wo_entrp": -3.69976921, "e_0_energy": -3.71542151}, {"e_fr_energy": -3.72334515, "e_wo_entrp": -3.6999902, "e_0_energy": -3.71556017}, {"e_fr_energy": -3.72339886, "e_wo_entrp": -3.70012161, "e_0_energy": -3.71563978}, {"e_fr_energy": -3.72341869, "e_wo_entrp": -3.70022677, "e_0_energy": -3.71568805}, {"e_fr_energy": -3.72343324, "e_wo_entrp": -3.70028012, "e_0_energy": -3.71571553}, {"e_fr_energy": -3.72343535, "e_wo_entrp": -3.70032569, "e_0_energy": -3.71573213}, {"e_fr_energy": -3.72343645, "e_wo_entrp": -3.70035884, "e_0_energy": -3.71574392}, {"alphaZ": 16.25275179, "ewald": -809.82055652, "hartreedc": -1268.09173433, "XCdc": 69.01455665, "pawpsdc": 1785.96447167, "pawaedc": -1877.63101304, "eentropy": -0.02306535, "bandstr": -376.2800709, "atom": 2456.89122314, "e_fr_energy": -3.72343689, "e_wo_entrp": -3.70037154, "e_0_energy": -3.71574844}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": -2.84338484, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -3.71574844, "energy_per_atom": -3.71574844, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -2.8434, "magnetization": [{"s": 0.179, "p": 0.0, "d": 3.333, "tot": 3.512}], "charge": [{"s": 0.418, "p": 5.984, "d": 5.906, "tot": 12.308}], "total_magnetization": 4.0006636, "nelect": 14.0000013, "is_stopped": false}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2014-09-02-10-06-15-663408/launcher_2014-11-05-18-27-21-173644", "completed_at": "2014-11-05 10:44:07", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59974bc0d1b6dd2131a69237"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59974bc0d1b6dd2131a6923a"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 138476.0, "Elapsed time (sec)": 950.167, "System time (sec)": 23.002, "User time (sec)": 925.452, "Total CPU time used (sec)": 948.454, "cores": "32"}, "overall": {"Total CPU time used (sec)": 948.454, "User time (sec)": 925.452, "System time (sec)": 23.002, "Elapsed time (sec)": 950.167}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2014-11-05 10:44:07", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 14, "NELECT": 14.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 40, "NGY": 40, "NGZ": 40, "NGXF": 80, "NGYF": 80, "NGZF": 80, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": true, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 72.51801855, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 3.512}}]}, "density": 0.7672531975503893, "energy": -3.71574844, "energy_per_atom": -3.71574844, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Pm-3m", "number": 221, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-P 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-11-05 10:44:07"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11"}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re", "Rb": "Rb_pv", "Rh": "Rh", "Be": "Be", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os", "Ge": "Ge", "Gd": "Gd", "Ga": "Ga", "Pr": "Pr", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm", "Ho": "Ho_3", "Hf": "Hf", "Hg": "Hg", "He": "He", "Mg": "Mg", "K": "K_sv", "Mn": "Mn", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr", "Er": "Er_3", "Ni": "Ni", "Na": "Na", "Nb": "Nb_pv", "Nd": "Nd", "Ne": "Ne", "Np": "Np", "Fe": "Fe", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr", "Cu": "Cu", "La": "La", "Li": "Li", "Tl": "Tl", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc", "Ta": "Ta", "Yb": "Yb", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In", "Mo": "Mo_pv"}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vaspio_set"}, "gamma_vasp_cmd": ["mpirun", "-n", "32", "gvasp"], "vasp_cmd": ["mpirun", "-n", "32", "vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.944225, 0.0, 0.0], [0.0, 4.944225, 0.0], [0.0, 0.0, 4.944225]], "a": 4.944225, "b": 4.944225, "c": 4.944225, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.86336425168142}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": false, "LVHAR": true, "LWAVE": false, "MAGMOM": [5], "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 11, 11]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-869237", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc794102e927b78dbe499cb"}, "dir_name": "mc0639.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-07-12-10-44-354827", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "Rubyvaspy :: fe", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "NGX": 22, "NGY": 22, "NGZ": 20, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[23, 23, 23]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04347826, 0.0, 0.0], "genvec2": [0.0, 0.04347826, 0.0], "genvec3": [0.0, 0.0, 0.04347826], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 8.219e-05}, {"abc": [0.04347826, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.0], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.04347826], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.08695652], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.13043478], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.17391304], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.2173913], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.26086957], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.30434783], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.34782609], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.39130435], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.43478261], "weight": 0.00016438}, {"abc": [0.0, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.0, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, 0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.47826087, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.43478261, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.39130435, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.34782609, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.30434783, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.26086957, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.2173913, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.17391304, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.13043478, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.08695652, 0.47826087], "weight": 0.00016438}, {"abc": [0.0, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.04347826, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.08695652, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.13043478, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.17391304, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.2173913, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.26086957, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.30434783, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.34782609, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.39130435, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.43478261, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [0.47826087, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.47826087, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.43478261, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.39130435, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.34782609, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.30434783, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.26086957, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.2173913, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.17391304, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.13043478, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.08695652, -0.04347826, 0.47826087], "weight": 0.00016438}, {"abc": [-0.04347826, -0.04347826, 0.47826087], "weight": 0.00016438}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "Rubyvaspy :: fe", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 14, "NELECT": 14.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 20, "NGXF": 48, "NGYF": 48, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.93097409, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-2.449246096724032e-16, 2.2060847617089983, 2.2060847617089983], [2.2060847617089983, 1.7199061391628934e-16, 2.2060847617089983], [2.2060847617089983, 2.2060847617089983, 1.7199061391628934e-16]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.45661916, "e_wo_entrp": -8.45678921, "e_0_energy": 0.00051015, "forces": [[-2.21e-06, 6e-08, -5.4e-07]], "stress": [[-21.79574283, -0.03910316, 0.02014345], [-0.03904408, -21.79314002, 0.01743249], [0.02018662, 0.01734835, -21.80423929]], "electronic_steps": [{"alphaZ": 170.05075195, "ewald": -1803.16052347, "hartreedc": -116.95064685, "XCdc": 52.21207792, "pawpsdc": 4368.59659513, "pawaedc": -4387.06045815, "eentropy": -7.252e-05, "bandstr": -1059.99955804, "atom": 2456.89122314, "e_fr_energy": -319.42061088, "e_wo_entrp": -319.42053836, "e_0_energy": -319.4205867}, {"e_fr_energy": -400.15003014, "e_wo_entrp": -400.16689995, "e_0_energy": -400.15565341}, {"e_fr_energy": -401.8528793, "e_wo_entrp": -401.70863407, "e_0_energy": -401.80479756}, {"e_fr_energy": -401.88074734, "e_wo_entrp": -401.7364865, "e_0_energy": -401.83266039}, {"e_fr_energy": -401.88166157, "e_wo_entrp": -401.73740083, "e_0_energy": -401.83357465}, {"e_fr_energy": -59.53841243, "e_wo_entrp": -59.52281305, "e_0_energy": -59.53321264}, {"e_fr_energy": -86.96990485, "e_wo_entrp": -86.96976231, "e_0_energy": -86.96985734}, {"e_fr_energy": -9.61343793, "e_wo_entrp": -9.61417656, "e_0_energy": -9.61368414}, {"e_fr_energy": -49.66251818, "e_wo_entrp": -49.66510343, "e_0_energy": -49.66337993}, {"e_fr_energy": -14.45871595, "e_wo_entrp": -14.45889144, "e_0_energy": -14.45877445}, {"e_fr_energy": -8.62320216, "e_wo_entrp": -8.62252554, "e_0_energy": -8.62297662}, {"e_fr_energy": -9.04968036, "e_wo_entrp": -9.04865373, "e_0_energy": -9.04933815}, {"e_fr_energy": -8.66954796, "e_wo_entrp": -8.66970354, "e_0_energy": -8.66959982}, {"e_fr_energy": -8.47150576, "e_wo_entrp": -8.47186736, "e_0_energy": -8.4716263}, {"e_fr_energy": -8.456889, "e_wo_entrp": -8.45743381, "e_0_energy": -8.4570706}, {"e_fr_energy": -8.45885963, "e_wo_entrp": -8.45949248, "e_0_energy": -8.45907058}, {"e_fr_energy": -8.45774435, "e_wo_entrp": -8.45836962, "e_0_energy": -8.45795277}, {"e_fr_energy": -8.45662731, "e_wo_entrp": -8.45716128, "e_0_energy": -8.4568053}, {"e_fr_energy": -8.4566167, "e_wo_entrp": -8.45713055, "e_0_energy": -8.45678799}, {"e_fr_energy": -8.45661969, "e_wo_entrp": -8.45713511, "e_0_energy": -8.4567915}, {"alphaZ": 170.05075195, "ewald": -1803.16052347, "hartreedc": -549.8944144, "XCdc": 70.45393885, "pawpsdc": 1860.53649942, "pawaedc": -1951.50441317, "eentropy": 0.00051015, "bandstr": -261.83019164, "atom": 2456.89122314, "e_fr_energy": -8.45661916, "e_wo_entrp": -8.45712931, "e_0_energy": -8.45678921}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 5.12649223, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.45678921, "energy_per_atom": -8.45678921, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.1265, "magnetization": [{"s": 0.005, "p": 0.04, "d": -2.295, "tot": -2.25}], "charge": [{"s": 0.38, "p": 6.376, "d": 6.043, "tot": 12.799}], "total_magnetization": -2.2223763, "nelect": 13.9999996, "is_stopped": false}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-07-12-10-44-354827", "completed_at": "2014-12-22 15:52:01", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59cc2338534bd921e24a314d"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59cc2338534bd921e24a3150"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 141472.0, "Elapsed time (sec)": 2978.368, "System time (sec)": 1.384, "User time (sec)": 2973.046, "Total CPU time used (sec)": 2974.43, "cores": "48"}, "overall": {"Total CPU time used (sec)": 2974.43, "User time (sec)": 2973.046, "System time (sec)": 1.384, "Elapsed time (sec)": 2978.368}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2014-12-22 15:52:01", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "Rubyvaspy :: fe", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 14, "NELECT": 14.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 20, "NGXF": 48, "NGYF": 48, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.93097409, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "Rubyvaspy :: fe", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "NGX": 22, "NGY": 22, "NGZ": 20, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": -2.25}}]}, "density": 8.027685701888801, "energy": -8.45678921, "energy_per_atom": -8.45678921, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-12-22 15:52:01"}, "transformations": {}, "custodian": [{"corrections": [{"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["rspher", "aliasing"], "actions": [{"action": {"_set": {"LREAL": false}}, "dict": "INCAR"}]}, {"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["subspacematrix", "brmix", "aliasing"], "actions": [{"action": {"_set": {"ISYM": 0}}, "dict": "INCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "CHGCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "WAVECAR"}, {"action": {"_set": {"LREAL": false}}, "dict": "INCAR"}, {"action": {"_set": {"NGX": 22, "NGY": 22, "NGZ": 20}}, "dict": "INCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "CHGCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "WAVECAR"}]}], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11"}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re", "Rb": "Rb_pv", "Rh": "Rh", "Be": "Be", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os", "Ge": "Ge", "Gd": "Gd", "Ga": "Ga", "Pr": "Pr", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm", "Ho": "Ho_3", "Hf": "Hf", "Hg": "Hg", "He": "He", "Mg": "Mg", "K": "K_sv", "Mn": "Mn", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr", "Er": "Er_3", "Ni": "Ni", "Na": "Na", "Nb": "Nb_pv", "Nd": "Nd", "Ne": "Ne", "Np": "Np", "Fe": "Fe", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr", "Cu": "Cu", "La": "La", "Li": "Li", "Tl": "Tl", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc", "Ta": "Ta", "Yb": "Yb", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In", "Mo": "Mo_pv"}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vaspio_set"}, "gamma_vasp_cmd": ["aprun", "-n", "48", "gvasp"], "vasp_cmd": ["aprun", "-n", "48", "vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.424058, 1.424058, 1.424058], [1.424058, -1.424058, 1.424058], [1.424058, 1.424058, -1.424058]], "a": 2.46654080892492, "b": 2.46654080892492, "c": 2.46654080892492, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 11.551623485580814}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5], "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: fe", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[23, 23, 23]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-906002", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc77f202e927b78dbe2eed2"}, "dir_name": "mc0620.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-07-12-40-48-205396", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 4, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 4e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 11, 11]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.09090909, 0.0, 0.0], "genvec2": [0.0, 0.09090909, 0.0], "genvec3": [0.0, 0.0, 0.09090909], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00075131}, {"abc": [0.09090909, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.0], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.09090909], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.18181818], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.27272727], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.36363636], "weight": 0.00150263}, {"abc": [0.0, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.0, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, 0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.45454545, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.36363636, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.27272727, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.18181818, 0.45454545], "weight": 0.00150263}, {"abc": [0.0, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.09090909, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.18181818, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.27272727, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.36363636, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [0.45454545, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.45454545, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.36363636, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.27272727, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.18181818, -0.09090909, 0.45454545], "weight": 0.00150263}, {"abc": [-0.09090909, -0.09090909, 0.45454545], "weight": 0.00150263}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 4e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 12.0, "ISMEAR": -5, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 9e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 36, "NGY": 36, "NGZ": 36, "NGXF": 72, "NGYF": 72, "NGZF": 72, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 4e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 13.28588385, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[1.409548869540506, 0.0, 0.0], [0.0, 1.409548869540506, 0.0], [0.0, 0.0, 1.409548869540506]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -6.57258669, "e_wo_entrp": -6.57258669, "e_0_energy": 0.0, "forces": [[-0.002151, 0.0, -0.00215098], [0.002151, -0.00215097, -1e-08], [0.0, -1e-08, -2e-08], [-1e-08, 0.00215099, 0.002151]], "stress": [[-0.58771667, -0.46219891, 0.46215536], [-0.46219891, -0.58771684, 0.46215294], [0.46215793, 0.46215295, -0.58770465]], "electronic_steps": [{"alphaZ": 14.97728524, "ewald": -257.55240035, "hartreedc": -139.14361559, "XCdc": 43.62547442, "pawpsdc": 227.77222687, "pawaedc": -322.6291097, "eentropy": 0.0, "bandstr": -342.67096386, "atom": 811.13530494, "e_fr_energy": 35.51420197, "e_wo_entrp": 35.51420197, "e_0_energy": 35.51420197}, {"e_fr_energy": -4.45185911, "e_wo_entrp": -4.45185911, "e_0_energy": -4.45185911}, {"e_fr_energy": -5.3132334, "e_wo_entrp": -5.3132334, "e_0_energy": -5.3132334}, {"e_fr_energy": -5.33586264, "e_wo_entrp": -5.33586264, "e_0_energy": -5.33586264}, {"e_fr_energy": -5.33674966, "e_wo_entrp": -5.33674966, "e_0_energy": -5.33674966}, {"e_fr_energy": -6.28612701, "e_wo_entrp": -6.28612701, "e_0_energy": -6.28612701}, {"e_fr_energy": -6.5638778, "e_wo_entrp": -6.5638778, "e_0_energy": -6.5638778}, {"e_fr_energy": -6.57068603, "e_wo_entrp": -6.57068603, "e_0_energy": -6.57068603}, {"e_fr_energy": -6.57217661, "e_wo_entrp": -6.57217661, "e_0_energy": -6.57217661}, {"e_fr_energy": -6.57250275, "e_wo_entrp": -6.57250275, "e_0_energy": -6.57250275}, {"e_fr_energy": -6.57257744, "e_wo_entrp": -6.57257744, "e_0_energy": -6.57257744}, {"e_fr_energy": -6.57258624, "e_wo_entrp": -6.57258624, "e_0_energy": -6.57258624}, {"alphaZ": 14.97728524, "ewald": -257.55240035, "hartreedc": -136.83037102, "XCdc": 43.1702064, "pawpsdc": 242.33036474, "pawaedc": -337.33749883, "eentropy": 0.0, "bandstr": -386.46547781, "atom": 811.13530494, "e_fr_energy": -6.57258669, "e_wo_entrp": -6.57258669, "e_0_energy": -6.57258669}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li"}]}}], "efermi": -0.18186562, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li"}]}, "energy": -6.57258669, "energy_per_atom": -1.6431466725, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.1819, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.104, "p": 0.103, "d": 0.0, "tot": 2.207}, {"s": 2.104, "p": 0.103, "d": 0.0, "tot": 2.207}, {"s": 2.103, "p": 0.104, "d": 0.0, "tot": 2.207}, {"s": 2.104, "p": 0.103, "d": 0.0, "tot": 2.207}], "total_magnetization": 0.0014683, "nelect": 11.9999975, "is_stopped": false}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-07-12-40-48-205396", "completed_at": "2014-12-22 15:52:38", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5989099755d123064681bd74"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5989099755d123064681bd77"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 58408.0, "Elapsed time (sec)": 321.199, "System time (sec)": 1.064, "User time (sec)": 317.788, "Total CPU time used (sec)": 318.852, "cores": "48"}, "overall": {"Total CPU time used (sec)": 318.852, "User time (sec)": 317.788, "System time (sec)": 1.064, "Elapsed time (sec)": 321.199}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2014-12-22 15:52:38", "nsites": 4, "composition_unit_cell": {"Li": 4.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 4e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 12.0, "ISMEAR": -5, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 9e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 36, "NGY": 36, "NGZ": 36, "NGXF": 72, "NGYF": 72, "NGZF": 72, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 4e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 13.28588385, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 4e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": -5, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5205134234874493, "energy": -6.57258669, "energy_per_atom": -1.6431466725, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P4_132", "number": 213, "point_group": "432", "crystal_system": "cubic", "hall": "P 4bd 2ab 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-12-22 15:52:38"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11"}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re", "Rb": "Rb_pv", "Rh": "Rh", "Be": "Be", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os", "Ge": "Ge", "Gd": "Gd", "Ga": "Ga", "Pr": "Pr", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm", "Ho": "Ho_3", "Hf": "Hf", "Hg": "Hg", "He": "He", "Mg": "Mg", "K": "K_sv", "Mn": "Mn", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr", "Er": "Er_3", "Ni": "Ni", "Na": "Na", "Nb": "Nb_pv", "Nd": "Nd", "Ne": "Ne", "Np": "Np", "Fe": "Fe", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr", "Cu": "Cu", "La": "La", "Li": "Li", "Tl": "Tl", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc", "Ta": "Ta", "Yb": "Yb", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In", "Mo": "Mo_pv"}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vaspio_set"}, "gamma_vasp_cmd": ["aprun", "-n", "48", "gvasp"], "vasp_cmd": ["aprun", "-n", "48", "vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[4.457586, 0.0, 0.0], [0.0, 4.457586, 0.0], [0.0, 0.0, 4.457586]], "a": 4.457586, "b": 4.457586, "c": 4.457586, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 88.57255898929115}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.875, 0.125, 0.625], "xyz": [3.90038775, 0.55719825, 2.78599125], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.375, 0.375, 0.375], "xyz": [1.6715947500000001, 1.6715947500000001, 1.6715947500000001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.125, 0.625, 0.875], "xyz": [0.55719825, 2.78599125, 3.90038775], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.625, 0.875, 0.125], "xyz": [2.78599125, 3.90038775, 0.55719825], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "incar": {"ALGO": "Normal", "EDIFF": 4e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "ISTART": 1, "ISYM": 0, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[11, 11, 11]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-906165", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc793f72e927b78dbe49380"}, "dir_name": "mc0639.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-07-19-00-51-455712", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "Rubyvaspy :: fe", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "NGX": 22, "NGY": 22, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 21]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.04761905], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00010798}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.0], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.04761905], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.0952381], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.14285714], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.19047619], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.23809524], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.28571429], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.33333333], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.38095238], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.42857143], "weight": 0.00021596}, {"abc": [0.0, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, 0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.47619048, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.42857143, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.38095238, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.33333333, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.28571429, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.23809524, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.19047619, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.14285714, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.0952381, 0.47619048], "weight": 0.00021596}, {"abc": [0.0, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.04761905, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.0952381, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.14285714, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.19047619, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.23809524, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.28571429, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.33333333, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.38095238, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.42857143, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [0.47619048, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.47619048, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.42857143, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.38095238, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.33333333, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.28571429, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.23809524, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.19047619, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.14285714, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.0952381, -0.04761905, 0.47619048], "weight": 0.00021596}, {"abc": [-0.04761905, -0.04761905, 0.47619048], "weight": 0.00021596}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "Rubyvaspy :: fe", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 14, "NELECT": 14.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 20, "NGXF": 48, "NGYF": 48, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.26832007, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.7234509990343654, 1.7234509990343654, 1.7234509990343654], [1.7234509990343654, -1.7234509990343654, 1.7234509990343654], [1.7234509990343654, 1.7234509990343654, -1.7234509990343654]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.31088159, "e_wo_entrp": -8.31136335, "e_0_energy": 0.00144528, "forces": [[0.0, -1e-08, 2e-08]], "stress": [[-7.5758901, -0.04137965, 0.02610339], [-0.04152454, -7.57294999, 0.02045811], [0.02628285, 0.02041477, -7.56787614]], "electronic_steps": [{"alphaZ": 162.15815272, "ewald": -1774.7104064, "hartreedc": -112.83866918, "XCdc": 51.28843248, "pawpsdc": 4208.6712644, "pawaedc": -4225.49220397, "eentropy": -3.831e-05, "bandstr": -1110.04269737, "atom": 2456.89122314, "e_fr_energy": -344.07494249, "e_wo_entrp": -344.07490418, "e_0_energy": -344.07492972}, {"e_fr_energy": -426.84330134, "e_wo_entrp": -426.86265432, "e_0_energy": -426.84975233}, {"e_fr_energy": -428.62891404, "e_wo_entrp": -428.47326953, "e_0_energy": -428.57703254}, {"e_fr_energy": -428.66353409, "e_wo_entrp": -428.50784943, "e_0_energy": -428.61163921}, {"e_fr_energy": -428.66477633, "e_wo_entrp": -428.50909177, "e_0_energy": -428.61288148}, {"e_fr_energy": -67.4211324, "e_wo_entrp": -67.42402521, "e_0_energy": -67.42209667}, {"e_fr_energy": -98.31660396, "e_wo_entrp": -98.31682848, "e_0_energy": -98.3166788}, {"e_fr_energy": -11.41806549, "e_wo_entrp": -11.41860341, "e_0_energy": -11.41824479}, {"e_fr_energy": -48.1748485, "e_wo_entrp": -48.16565492, "e_0_energy": -48.17178397}, {"e_fr_energy": -7.91191325, "e_wo_entrp": -7.91297996, "e_0_energy": -7.91226882}, {"e_fr_energy": -8.10500224, "e_wo_entrp": -8.10558265, "e_0_energy": -8.10519571}, {"e_fr_energy": -8.10034084, "e_wo_entrp": -8.10009989, "e_0_energy": -8.10026053}, {"e_fr_energy": -8.16575895, "e_wo_entrp": -8.16599603, "e_0_energy": -8.16583798}, {"e_fr_energy": -8.1318514, "e_wo_entrp": -8.13228133, "e_0_energy": -8.13199471}, {"e_fr_energy": -8.14832844, "e_wo_entrp": -8.14977579, "e_0_energy": -8.14881089}, {"e_fr_energy": -8.16559489, "e_wo_entrp": -8.16753461, "e_0_energy": -8.16624146}, {"e_fr_energy": -8.18484746, "e_wo_entrp": -8.18572882, "e_0_energy": -8.18514125}, {"e_fr_energy": -8.19943177, "e_wo_entrp": -8.19829185, "e_0_energy": -8.1990518}, {"e_fr_energy": -8.20413899, "e_wo_entrp": -8.2024499, "e_0_energy": -8.20357596}, {"e_fr_energy": -8.23100609, "e_wo_entrp": -8.22617739, "e_0_energy": -8.22939652}, {"e_fr_energy": -8.19636255, "e_wo_entrp": -8.19537393, "e_0_energy": -8.19603301}, {"e_fr_energy": -8.14701123, "e_wo_entrp": -8.14851054, "e_0_energy": -8.147511}, {"e_fr_energy": -8.19890912, "e_wo_entrp": -8.19767954, "e_0_energy": -8.19849926}, {"e_fr_energy": -8.20069195, "e_wo_entrp": -8.19921497, "e_0_energy": -8.20019963}, {"e_fr_energy": -8.25875645, "e_wo_entrp": -8.25497657, "e_0_energy": -8.25749649}, {"e_fr_energy": -8.27097902, "e_wo_entrp": -8.26905509, "e_0_energy": -8.27033771}, {"e_fr_energy": -8.27223169, "e_wo_entrp": -8.27065054, "e_0_energy": -8.27170464}, {"e_fr_energy": -8.28045231, "e_wo_entrp": -8.28036704, "e_0_energy": -8.28042388}, {"e_fr_energy": -8.29309949, "e_wo_entrp": -8.29528695, "e_0_energy": -8.29382864}, {"e_fr_energy": -8.25698241, "e_wo_entrp": -8.2531718, "e_0_energy": -8.25571221}, {"e_fr_energy": -8.25678458, "e_wo_entrp": -8.25284063, "e_0_energy": -8.25546993}, {"e_fr_energy": -8.24960966, "e_wo_entrp": -8.24487532, "e_0_energy": -8.24803155}, {"e_fr_energy": -8.19341555, "e_wo_entrp": -8.1920067, "e_0_energy": -8.19294594}, {"e_fr_energy": -8.14998695, "e_wo_entrp": -8.15193147, "e_0_energy": -8.15063512}, {"e_fr_energy": -8.1315001, "e_wo_entrp": -8.13276134, "e_0_energy": -8.13192051}, {"e_fr_energy": -8.14101993, "e_wo_entrp": -8.14281656, "e_0_energy": -8.14161881}, {"e_fr_energy": -8.1392226, "e_wo_entrp": -8.14092461, "e_0_energy": -8.13978994}, {"e_fr_energy": -8.12868143, "e_wo_entrp": -8.12969719, "e_0_energy": -8.12902002}, {"e_fr_energy": -8.11186165, "e_wo_entrp": -8.11186109, "e_0_energy": -8.11186146}, {"e_fr_energy": -8.11032359, "e_wo_entrp": -8.11024158, "e_0_energy": -8.11029625}, {"e_fr_energy": -8.12312188, "e_wo_entrp": -8.1236298, "e_0_energy": -8.12329118}, {"e_fr_energy": -8.13102178, "e_wo_entrp": -8.13208852, "e_0_energy": -8.13137736}, {"e_fr_energy": -8.1341766, "e_wo_entrp": -8.13547305, "e_0_energy": -8.13460875}, {"e_fr_energy": -8.14751339, "e_wo_entrp": -8.14952546, "e_0_energy": -8.14818408}, {"e_fr_energy": -8.19395674, "e_wo_entrp": -8.19251362, "e_0_energy": -8.1934757}, {"e_fr_energy": -8.25598311, "e_wo_entrp": -8.25277604, "e_0_energy": -8.25491409}, {"e_fr_energy": -8.28383702, "e_wo_entrp": -8.2838728, "e_0_energy": -8.28384895}, {"e_fr_energy": -8.30013519, "e_wo_entrp": -8.30267977, "e_0_energy": -8.30098338}, {"e_fr_energy": -8.1309525, "e_wo_entrp": -8.13193323, "e_0_energy": -8.13127941}, {"e_fr_energy": -8.30980584, "e_wo_entrp": -8.31028656, "e_0_energy": -8.30996608}, {"e_fr_energy": -8.24214182, "e_wo_entrp": -8.24331655, "e_0_energy": -8.24253339}, {"e_fr_energy": -8.27643921, "e_wo_entrp": -8.27717137, "e_0_energy": -8.27668326}, {"e_fr_energy": -8.2763706, "e_wo_entrp": -8.27706055, "e_0_energy": -8.27660058}, {"e_fr_energy": -8.2924249, "e_wo_entrp": -8.29269204, "e_0_energy": -8.29251394}, {"e_fr_energy": -8.30466251, "e_wo_entrp": -8.30504293, "e_0_energy": -8.30478932}, {"e_fr_energy": -8.28185016, "e_wo_entrp": -8.2822958, "e_0_energy": -8.28199871}, {"e_fr_energy": -8.30509173, "e_wo_entrp": -8.30562024, "e_0_energy": -8.3052679}, {"e_fr_energy": -8.30668599, "e_wo_entrp": -8.30732855, "e_0_energy": -8.30690017}, {"e_fr_energy": -8.30849184, "e_wo_entrp": -8.30935129, "e_0_energy": -8.30877832}, {"e_fr_energy": -8.31030783, "e_wo_entrp": -8.31208941, "e_0_energy": -8.31090169}, {"e_fr_energy": -8.31018532, "e_wo_entrp": -8.31238888, "e_0_energy": -8.31091984}, {"e_fr_energy": -8.31008003, "e_wo_entrp": -8.31240278, "e_0_energy": -8.31085428}, {"e_fr_energy": -8.31027549, "e_wo_entrp": -8.31248462, "e_0_energy": -8.31101187}, {"e_fr_energy": -8.31086424, "e_wo_entrp": -8.31247665, "e_0_energy": -8.31140171}, {"e_fr_energy": -8.31088544, "e_wo_entrp": -8.31239492, "e_0_energy": -8.3113886}, {"e_fr_energy": -8.31076621, "e_wo_entrp": -8.31198143, "e_0_energy": -8.31117129}, {"e_fr_energy": -8.31088129, "e_wo_entrp": -8.31233604, "e_0_energy": -8.31136621}, {"e_fr_energy": -8.31087835, "e_wo_entrp": -8.31230695, "e_0_energy": -8.31135455}, {"e_fr_energy": -8.31088242, "e_wo_entrp": -8.31233728, "e_0_energy": -8.31136737}, {"alphaZ": 162.15815272, "ewald": -1774.7104064, "hartreedc": -566.08957852, "XCdc": 70.51690466, "pawpsdc": 1848.4845263, "pawaedc": -1939.78073832, "eentropy": 0.00144528, "bandstr": -265.78241046, "atom": 2456.89122314, "e_fr_energy": -8.31088159, "e_wo_entrp": -8.31232688, "e_0_energy": -8.31136335}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}}], "efermi": 4.94820975, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "energy": -8.31136335, "energy_per_atom": -8.31136335, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 4.9482, "magnetization": [{"s": -0.007, "p": -0.037, "d": 2.646, "tot": 2.601}], "charge": [{"s": 0.373, "p": 6.352, "d": 6.004, "tot": 12.729}], "total_magnetization": 2.5829237, "nelect": 13.9999999, "is_stopped": false}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-07-19-00-51-455712", "completed_at": "2014-12-22 15:54:13", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59cbe09d534bd921e34a2c57"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59cbe09d534bd921e34a2c5a"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 120880.0, "Elapsed time (sec)": 7674.741, "System time (sec)": 1.444, "User time (sec)": 7670.639, "Total CPU time used (sec)": 7672.083, "cores": "48"}, "overall": {"Total CPU time used (sec)": 7672.083, "User time (sec)": 7670.639, "System time (sec)": 1.444, "Elapsed time (sec)": 7674.741}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2014-12-22 15:54:13", "nsites": 1, "composition_unit_cell": {"Fe": 1.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "Rubyvaspy :: fe", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 14, "NELECT": 14.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": false, "ROPT": [0.0], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 20, "NGXF": 48, "NGYF": 48, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 0, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": true, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 7.26832007, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "Rubyvaspy :: fe", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ISYM": 0, "ENCUT": 520.0, "NGX": 22, "NGY": 22, "MAGMOM": [5.0], "LREAL": false, "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe", "properties": {"magmom": 2.601}}]}, "density": 7.65509513537782, "energy": -8.31136335, "energy_per_atom": -8.31136335, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-12-22 15:54:13"}, "transformations": {}, "custodian": [{"corrections": [{"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["rspher", "aliasing"], "actions": [{"action": {"_set": {"LREAL": false}}, "dict": "INCAR"}]}, {"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["subspacematrix", "brmix", "aliasing"], "actions": [{"action": {"_set": {"ISYM": 0}}, "dict": "INCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "CHGCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "WAVECAR"}, {"action": {"_set": {"LREAL": false}}, "dict": "INCAR"}, {"action": {"_set": {"NGX": 22}}, "dict": "INCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "CHGCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "WAVECAR"}]}, {"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["aliasing"], "actions": [{"action": {"_set": {"NGY": 22}}, "dict": "INCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "CHGCAR"}, {"action": {"_file_delete": {"mode": "actual"}}, "file": "WAVECAR"}]}], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11"}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re", "Rb": "Rb_pv", "Rh": "Rh", "Be": "Be", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os", "Ge": "Ge", "Gd": "Gd", "Ga": "Ga", "Pr": "Pr", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm", "Ho": "Ho_3", "Hf": "Hf", "Hg": "Hg", "He": "He", "Mg": "Mg", "K": "K_sv", "Mn": "Mn", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr", "Er": "Er_3", "Ni": "Ni", "Na": "Na", "Nb": "Nb_pv", "Nd": "Nd", "Ne": "Ne", "Np": "Np", "Fe": "Fe", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr", "Cu": "Cu", "La": "La", "Li": "Li", "Tl": "Tl", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc", "Ta": "Ta", "Yb": "Yb", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In", "Mo": "Mo_pv"}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vaspio_set"}, "gamma_vasp_cmd": ["aprun", "-n", "48", "gvasp"], "vasp_cmd": ["aprun", "-n", "48", "vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.82285, 1.82285], [1.82285, 0.0, 1.82285], [1.82285, 1.82285, 0.0]], "a": 2.5778991921717966, "b": 2.5778991921717966, "c": 2.5778991921717966, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 12.113866783998253}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5], "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: fe", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 21]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-908025", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc793452e927b78dbe46b60"}, "dir_name": "mc0826.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-08-03-50-26-380296", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 2, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "RubyVaspy :: Li", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 2e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6], "LREAL": "AUTO", "ISMEAR": -5, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 11]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05882353, 0.0, 0.0], "genvec2": [0.0, 0.05882353, 0.0], "genvec3": [0.0, 0.0, 0.09090909], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00031456}, {"abc": [0.05882353, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.11764706, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.17647059, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.23529412, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.29411765, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.35294118, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.41176471, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.47058824, 0.0, 0.0], "weight": 0.00188739}, {"abc": [0.05882353, 0.05882353, 0.0], "weight": 0.00188739}, {"abc": [0.11764706, 0.05882353, 0.0], "weight": 0.00377477}, {"abc": [0.17647059, 0.05882353, 0.0], "weight": 0.00377477}, {"abc": [0.23529412, 0.05882353, 0.0], "weight": 0.00377477}, {"abc": [0.29411765, 0.05882353, 0.0], "weight": 0.00377477}, {"abc": [0.35294118, 0.05882353, 0.0], "weight": 0.00377477}, {"abc": [0.41176471, 0.05882353, 0.0], "weight": 0.00377477}, {"abc": [0.47058824, 0.05882353, 0.0], "weight": 0.00188739}, {"abc": [0.11764706, 0.11764706, 0.0], "weight": 0.00188739}, {"abc": [0.17647059, 0.11764706, 0.0], "weight": 0.00377477}, {"abc": [0.23529412, 0.11764706, 0.0], "weight": 0.00377477}, {"abc": [0.29411765, 0.11764706, 0.0], "weight": 0.00377477}, {"abc": [0.35294118, 0.11764706, 0.0], "weight": 0.00377477}, {"abc": [0.41176471, 0.11764706, 0.0], "weight": 0.00377477}, {"abc": [0.17647059, 0.17647059, 0.0], "weight": 0.00188739}, {"abc": [0.23529412, 0.17647059, 0.0], "weight": 0.00377477}, {"abc": [0.29411765, 0.17647059, 0.0], "weight": 0.00377477}, {"abc": [0.35294118, 0.17647059, 0.0], "weight": 0.00377477}, {"abc": [0.41176471, 0.17647059, 0.0], "weight": 0.00188739}, {"abc": [0.23529412, 0.23529412, 0.0], "weight": 0.00188739}, {"abc": [0.29411765, 0.23529412, 0.0], "weight": 0.00377477}, {"abc": [0.35294118, 0.23529412, 0.0], "weight": 0.00377477}, {"abc": [0.29411765, 0.29411765, 0.0], "weight": 0.00188739}, {"abc": [0.35294118, 0.29411765, 0.0], "weight": 0.00188739}, {"abc": [0.0, 0.0, 0.09090909], "weight": 0.00062913}, {"abc": [0.05882353, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.11764706, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.17647059, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.23529412, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.29411765, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.35294118, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.41176471, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.47058824, 0.0, 0.09090909], "weight": 0.00377477}, {"abc": [0.05882353, 0.05882353, 0.09090909], "weight": 0.00377477}, {"abc": [0.11764706, 0.05882353, 0.09090909], "weight": 0.00754954}, {"abc": [0.17647059, 0.05882353, 0.09090909], "weight": 0.00754954}, {"abc": [0.23529412, 0.05882353, 0.09090909], "weight": 0.00754954}, {"abc": [0.29411765, 0.05882353, 0.09090909], "weight": 0.00754954}, {"abc": [0.35294118, 0.05882353, 0.09090909], "weight": 0.00754954}, {"abc": [0.41176471, 0.05882353, 0.09090909], "weight": 0.00754954}, {"abc": [0.47058824, 0.05882353, 0.09090909], "weight": 0.00377477}, {"abc": [0.11764706, 0.11764706, 0.09090909], "weight": 0.00377477}, {"abc": [0.17647059, 0.11764706, 0.09090909], "weight": 0.00754954}, {"abc": [0.23529412, 0.11764706, 0.09090909], "weight": 0.00754954}, {"abc": [0.29411765, 0.11764706, 0.09090909], "weight": 0.00754954}, {"abc": [0.35294118, 0.11764706, 0.09090909], "weight": 0.00754954}, {"abc": [0.41176471, 0.11764706, 0.09090909], "weight": 0.00754954}, {"abc": [0.17647059, 0.17647059, 0.09090909], "weight": 0.00377477}, {"abc": [0.23529412, 0.17647059, 0.09090909], "weight": 0.00754954}, {"abc": [0.29411765, 0.17647059, 0.09090909], "weight": 0.00754954}, {"abc": [0.35294118, 0.17647059, 0.09090909], "weight": 0.00754954}, {"abc": [0.41176471, 0.17647059, 0.09090909], "weight": 0.00377477}, {"abc": [0.23529412, 0.23529412, 0.09090909], "weight": 0.00377477}, {"abc": [0.29411765, 0.23529412, 0.09090909], "weight": 0.00754954}, {"abc": [0.35294118, 0.23529412, 0.09090909], "weight": 0.00754954}, {"abc": [0.29411765, 0.29411765, 0.09090909], "weight": 0.00377477}, {"abc": [0.35294118, 0.29411765, 0.09090909], "weight": 0.00377477}, {"abc": [0.0, 0.0, 0.18181818], "weight": 0.00062913}, {"abc": [0.05882353, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.11764706, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.17647059, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.23529412, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.29411765, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.35294118, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.41176471, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.47058824, 0.0, 0.18181818], "weight": 0.00377477}, {"abc": [0.05882353, 0.05882353, 0.18181818], "weight": 0.00377477}, {"abc": [0.11764706, 0.05882353, 0.18181818], "weight": 0.00754954}, {"abc": [0.17647059, 0.05882353, 0.18181818], "weight": 0.00754954}, {"abc": [0.23529412, 0.05882353, 0.18181818], "weight": 0.00754954}, {"abc": [0.29411765, 0.05882353, 0.18181818], "weight": 0.00754954}, {"abc": [0.35294118, 0.05882353, 0.18181818], "weight": 0.00754954}, {"abc": [0.41176471, 0.05882353, 0.18181818], "weight": 0.00754954}, {"abc": [0.47058824, 0.05882353, 0.18181818], "weight": 0.00377477}, {"abc": [0.11764706, 0.11764706, 0.18181818], "weight": 0.00377477}, {"abc": [0.17647059, 0.11764706, 0.18181818], "weight": 0.00754954}, {"abc": [0.23529412, 0.11764706, 0.18181818], "weight": 0.00754954}, {"abc": [0.29411765, 0.11764706, 0.18181818], "weight": 0.00754954}, {"abc": [0.35294118, 0.11764706, 0.18181818], "weight": 0.00754954}, {"abc": [0.41176471, 0.11764706, 0.18181818], "weight": 0.00754954}, {"abc": [0.17647059, 0.17647059, 0.18181818], "weight": 0.00377477}, {"abc": [0.23529412, 0.17647059, 0.18181818], "weight": 0.00754954}, {"abc": [0.29411765, 0.17647059, 0.18181818], "weight": 0.00754954}, {"abc": [0.35294118, 0.17647059, 0.18181818], "weight": 0.00754954}, {"abc": [0.41176471, 0.17647059, 0.18181818], "weight": 0.00377477}, {"abc": [0.23529412, 0.23529412, 0.18181818], "weight": 0.00377477}, {"abc": [0.29411765, 0.23529412, 0.18181818], "weight": 0.00754954}, {"abc": [0.35294118, 0.23529412, 0.18181818], "weight": 0.00754954}, {"abc": [0.29411765, 0.29411765, 0.18181818], "weight": 0.00377477}, {"abc": [0.35294118, 0.29411765, 0.18181818], "weight": 0.00377477}, {"abc": [0.0, 0.0, 0.27272727], "weight": 0.00062913}, {"abc": [0.05882353, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.11764706, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.17647059, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.23529412, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.29411765, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.35294118, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.41176471, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.47058824, 0.0, 0.27272727], "weight": 0.00377477}, {"abc": [0.05882353, 0.05882353, 0.27272727], "weight": 0.00377477}, {"abc": [0.11764706, 0.05882353, 0.27272727], "weight": 0.00754954}, {"abc": [0.17647059, 0.05882353, 0.27272727], "weight": 0.00754954}, {"abc": [0.23529412, 0.05882353, 0.27272727], "weight": 0.00754954}, {"abc": [0.29411765, 0.05882353, 0.27272727], "weight": 0.00754954}, {"abc": [0.35294118, 0.05882353, 0.27272727], "weight": 0.00754954}, {"abc": [0.41176471, 0.05882353, 0.27272727], "weight": 0.00754954}, {"abc": [0.47058824, 0.05882353, 0.27272727], "weight": 0.00377477}, {"abc": [0.11764706, 0.11764706, 0.27272727], "weight": 0.00377477}, {"abc": [0.17647059, 0.11764706, 0.27272727], "weight": 0.00754954}, {"abc": [0.23529412, 0.11764706, 0.27272727], "weight": 0.00754954}, {"abc": [0.29411765, 0.11764706, 0.27272727], "weight": 0.00754954}, {"abc": [0.35294118, 0.11764706, 0.27272727], "weight": 0.00754954}, {"abc": [0.41176471, 0.11764706, 0.27272727], "weight": 0.00754954}, {"abc": [0.17647059, 0.17647059, 0.27272727], "weight": 0.00377477}, {"abc": [0.23529412, 0.17647059, 0.27272727], "weight": 0.00754954}, {"abc": [0.29411765, 0.17647059, 0.27272727], "weight": 0.00754954}, {"abc": [0.35294118, 0.17647059, 0.27272727], "weight": 0.00754954}, {"abc": [0.41176471, 0.17647059, 0.27272727], "weight": 0.00377477}, {"abc": [0.23529412, 0.23529412, 0.27272727], "weight": 0.00377477}, {"abc": [0.29411765, 0.23529412, 0.27272727], "weight": 0.00754954}, {"abc": [0.35294118, 0.23529412, 0.27272727], "weight": 0.00754954}, {"abc": [0.29411765, 0.29411765, 0.27272727], "weight": 0.00377477}, {"abc": [0.35294118, 0.29411765, 0.27272727], "weight": 0.00377477}, {"abc": [0.0, 0.0, 0.36363636], "weight": 0.00062913}, {"abc": [0.05882353, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.11764706, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.17647059, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.23529412, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.29411765, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.35294118, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.41176471, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.47058824, 0.0, 0.36363636], "weight": 0.00377477}, {"abc": [0.05882353, 0.05882353, 0.36363636], "weight": 0.00377477}, {"abc": [0.11764706, 0.05882353, 0.36363636], "weight": 0.00754954}, {"abc": [0.17647059, 0.05882353, 0.36363636], "weight": 0.00754954}, {"abc": [0.23529412, 0.05882353, 0.36363636], "weight": 0.00754954}, {"abc": [0.29411765, 0.05882353, 0.36363636], "weight": 0.00754954}, {"abc": [0.35294118, 0.05882353, 0.36363636], "weight": 0.00754954}, {"abc": [0.41176471, 0.05882353, 0.36363636], "weight": 0.00754954}, {"abc": [0.47058824, 0.05882353, 0.36363636], "weight": 0.00377477}, {"abc": [0.11764706, 0.11764706, 0.36363636], "weight": 0.00377477}, {"abc": [0.17647059, 0.11764706, 0.36363636], "weight": 0.00754954}, {"abc": [0.23529412, 0.11764706, 0.36363636], "weight": 0.00754954}, {"abc": [0.29411765, 0.11764706, 0.36363636], "weight": 0.00754954}, {"abc": [0.35294118, 0.11764706, 0.36363636], "weight": 0.00754954}, {"abc": [0.41176471, 0.11764706, 0.36363636], "weight": 0.00754954}, {"abc": [0.17647059, 0.17647059, 0.36363636], "weight": 0.00377477}, {"abc": [0.23529412, 0.17647059, 0.36363636], "weight": 0.00754954}, {"abc": [0.29411765, 0.17647059, 0.36363636], "weight": 0.00754954}, {"abc": [0.35294118, 0.17647059, 0.36363636], "weight": 0.00754954}, {"abc": [0.41176471, 0.17647059, 0.36363636], "weight": 0.00377477}, {"abc": [0.23529412, 0.23529412, 0.36363636], "weight": 0.00377477}, {"abc": [0.29411765, 0.23529412, 0.36363636], "weight": 0.00754954}, {"abc": [0.35294118, 0.23529412, 0.36363636], "weight": 0.00754954}, {"abc": [0.29411765, 0.29411765, 0.36363636], "weight": 0.00377477}, {"abc": [0.35294118, 0.29411765, 0.36363636], "weight": 0.00377477}, {"abc": [0.0, 0.0, 0.45454545], "weight": 0.00062913}, {"abc": [0.05882353, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.11764706, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.17647059, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.23529412, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.29411765, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.35294118, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.41176471, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.47058824, 0.0, 0.45454545], "weight": 0.00377477}, {"abc": [0.05882353, 0.05882353, 0.45454545], "weight": 0.00377477}, {"abc": [0.11764706, 0.05882353, 0.45454545], "weight": 0.00754954}, {"abc": [0.17647059, 0.05882353, 0.45454545], "weight": 0.00754954}, {"abc": [0.23529412, 0.05882353, 0.45454545], "weight": 0.00754954}, {"abc": [0.29411765, 0.05882353, 0.45454545], "weight": 0.00754954}, {"abc": [0.35294118, 0.05882353, 0.45454545], "weight": 0.00754954}, {"abc": [0.41176471, 0.05882353, 0.45454545], "weight": 0.00754954}, {"abc": [0.47058824, 0.05882353, 0.45454545], "weight": 0.00377477}, {"abc": [0.11764706, 0.11764706, 0.45454545], "weight": 0.00377477}, {"abc": [0.17647059, 0.11764706, 0.45454545], "weight": 0.00754954}, {"abc": [0.23529412, 0.11764706, 0.45454545], "weight": 0.00754954}, {"abc": [0.29411765, 0.11764706, 0.45454545], "weight": 0.00754954}, {"abc": [0.35294118, 0.11764706, 0.45454545], "weight": 0.00754954}, {"abc": [0.41176471, 0.11764706, 0.45454545], "weight": 0.00754954}, {"abc": [0.17647059, 0.17647059, 0.45454545], "weight": 0.00377477}, {"abc": [0.23529412, 0.17647059, 0.45454545], "weight": 0.00754954}, {"abc": [0.29411765, 0.17647059, 0.45454545], "weight": 0.00754954}, {"abc": [0.35294118, 0.17647059, 0.45454545], "weight": 0.00754954}, {"abc": [0.41176471, 0.17647059, 0.45454545], "weight": 0.00377477}, {"abc": [0.23529412, 0.23529412, 0.45454545], "weight": 0.00377477}, {"abc": [0.29411765, 0.23529412, 0.45454545], "weight": 0.00754954}, {"abc": [0.35294118, 0.23529412, 0.45454545], "weight": 0.00754954}, {"abc": [0.29411765, 0.29411765, 0.45454545], "weight": 0.00377477}, {"abc": [0.35294118, 0.29411765, 0.45454545], "weight": 0.00377477}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "RubyVaspy :: Li", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 2e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 6.0, "ISMEAR": -5, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 6e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 40, "NGXF": 48, "NGYF": 48, "NGZF": 80, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 2e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.11390165, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.0416272056363187, -1.1787336139059799, 0.0], [2.0416272056363187, 1.17873361390598, 0.0], [0.0, 0.0, 1.2763056980259153]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -3.80929545, "e_wo_entrp": -3.80929545, "e_0_energy": 0.0, "forces": [[0.0, 0.0, 0.0], [0.0, 0.0, 0.0]], "stress": [[-1.08695202, 0.0, 0.0], [0.0, -1.08695276, 0.0], [0.0, 0.0, 1.37038519]], "electronic_steps": [{"alphaZ": 8.21314543, "ewald": -137.4508202, "hartreedc": -7.10617859, "XCdc": 13.85800778, "pawpsdc": 3.45492397, "pawaedc": -3.4728353, "eentropy": 0.0, "bandstr": -365.15529103, "atom": 405.56765247, "e_fr_energy": -82.09139547, "e_wo_entrp": -82.09139547, "e_0_energy": -82.09139547}, {"e_fr_energy": -93.03147591, "e_wo_entrp": -93.03147591, "e_0_energy": -93.03147591}, {"e_fr_energy": -93.25687807, "e_wo_entrp": -93.25687807, "e_0_energy": -93.25687807}, {"e_fr_energy": -93.26380378, "e_wo_entrp": -93.26380378, "e_0_energy": -93.26380378}, {"e_fr_energy": -93.2638322, "e_wo_entrp": -93.2638322, "e_0_energy": -93.2638322}, {"e_fr_energy": -43.05505796, "e_wo_entrp": -43.05505796, "e_0_energy": -43.05505796}, {"e_fr_energy": -4.52843936, "e_wo_entrp": -4.52843936, "e_0_energy": -4.52843936}, {"e_fr_energy": -4.45637839, "e_wo_entrp": -4.45637839, "e_0_energy": -4.45637839}, {"e_fr_energy": -3.92340903, "e_wo_entrp": -3.92340903, "e_0_energy": -3.92340903}, {"e_fr_energy": -3.80454269, "e_wo_entrp": -3.80454269, "e_0_energy": -3.80454269}, {"e_fr_energy": -3.8054483, "e_wo_entrp": -3.8054483, "e_0_energy": -3.8054483}, {"e_fr_energy": -3.80799229, "e_wo_entrp": -3.80799229, "e_0_energy": -3.80799229}, {"e_fr_energy": -3.80931707, "e_wo_entrp": -3.80931707, "e_0_energy": -3.80931707}, {"e_fr_energy": -3.80931254, "e_wo_entrp": -3.80931254, "e_0_energy": -3.80931254}, {"e_fr_energy": -3.80930403, "e_wo_entrp": -3.80930403, "e_0_energy": -3.80930403}, {"e_fr_energy": -3.8092953, "e_wo_entrp": -3.8092953, "e_0_energy": -3.8092953}, {"alphaZ": 8.21314543, "ewald": -137.4508202, "hartreedc": -64.19141943, "XCdc": 21.6758929, "pawpsdc": 121.57239542, "pawaedc": -169.11644216, "eentropy": 0.0, "bandstr": -190.07969988, "atom": 405.56765247, "e_fr_energy": -3.80929545, "e_wo_entrp": -3.80929545, "e_0_energy": -3.80929545}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li"}]}}], "efermi": -0.23731381, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li"}]}, "energy": -3.80929545, "energy_per_atom": -1.904647725, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2373, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.106, "p": 0.107, "d": 0.0, "tot": 2.213}, {"s": 2.106, "p": 0.107, "d": 0.0, "tot": 2.213}], "total_magnetization": -0.0001141, "nelect": 5.9999997, "is_stopped": false}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2014-12-05-16-21-55-909893/launcher_2014-12-08-03-50-26-380296", "completed_at": "2014-12-22 15:51:15", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59c9922a17244e0abca0bd9b"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59c9922a17244e0abca0bd9e"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 31600.0, "Elapsed time (sec)": 58.304, "System time (sec)": 1.092, "User time (sec)": 56.384, "Total CPU time used (sec)": 57.476, "cores": "48"}, "overall": {"Total CPU time used (sec)": 57.476, "User time (sec)": 56.384, "System time (sec)": 1.092, "Elapsed time (sec)": 58.304}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2014-12-22 15:51:15", "nsites": 2, "composition_unit_cell": {"Li": 2.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "RubyVaspy :: Li", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 2e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 8, "NELECT": 6.0, "ISMEAR": -5, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 6e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 40, "NGXF": 48, "NGYF": 48, "NGZF": 80, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 2e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.11390165, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "RubyVaspy :: Li", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 2e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6], "LREAL": "AUTO", "ISMEAR": -5, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.538769, 0.8884107768180001, 1.23073675], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.538769, -0.8884107768180001, 3.6922102499999996], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5708714737768856, "energy": -3.80929545, "energy_per_atom": -1.904647725, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-12-22 15:51:15"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11"}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re", "Rb": "Rb_pv", "Rh": "Rh", "Be": "Be", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os", "Ge": "Ge", "Gd": "Gd", "Ga": "Ga", "Pr": "Pr", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm", "Ho": "Ho_3", "Hf": "Hf", "Hg": "Hg", "He": "He", "Mg": "Mg", "K": "K_sv", "Mn": "Mn", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr", "Er": "Er_3", "Ni": "Ni", "Na": "Na", "Nb": "Nb_pv", "Nd": "Nd", "Ne": "Ne", "Np": "Np", "Fe": "Fe", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr", "Cu": "Cu", "La": "La", "Li": "Li", "Tl": "Tl", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc", "Ta": "Ta", "Yb": "Yb", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In", "Mo": "Mo_pv"}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vaspio_set"}, "gamma_vasp_cmd": ["aprun", "-n", "48", "gvasp"], "vasp_cmd": ["aprun", "-n", "48", "vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.538769, -2.665227, 0.0], [1.538769, 2.665227, 0.0], [0.0, 0.0, 4.922947]], "a": 3.0775387888522214, "b": 3.0775387888522214, "c": 4.922947, "alpha": 90.0, "beta": 90.0, "gamma": 120.00001695836976, "volume": 40.379672154172624}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5387690000000003, 0.8884107768180001, 1.23073675], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5387690000000003, -0.8884107768180001, 3.6922102499999996], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li2"}, "incar": {"ALGO": "Normal", "EDIFF": 2e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LMAXTAU": 0, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LRHFATM": false, "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6], "METAGGA": "--", "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 11]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-910359", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc7916a2e927b78dbe42a93"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2014-12-08-08-00-20-007528/launcher_2014-12-08-14-41-01-075779", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 8, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 8e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false, "LDAU": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 9]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.11111111, 0.0, 0.0], "genvec2": [0.0, 0.11111111, 0.0], "genvec3": [0.0, 0.0, 0.11111111], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00137174}, {"abc": [0.11111111, 0.0, 0.0], "weight": 0.01646091}, {"abc": [0.22222222, 0.0, 0.0], "weight": 0.01646091}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.01646091}, {"abc": [0.44444444, 0.0, 0.0], "weight": 0.01646091}, {"abc": [0.11111111, 0.11111111, 0.0], "weight": 0.03292181}, {"abc": [0.22222222, 0.11111111, 0.0], "weight": 0.06584362}, {"abc": [0.33333333, 0.11111111, 0.0], "weight": 0.06584362}, {"abc": [0.44444444, 0.11111111, 0.0], "weight": 0.03292181}, {"abc": [0.22222222, 0.22222222, 0.0], "weight": 0.03292181}, {"abc": [0.33333333, 0.22222222, 0.0], "weight": 0.06584362}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.01097394}, {"abc": [0.11111111, 0.11111111, 0.11111111], "weight": 0.01097394}, {"abc": [0.22222222, 0.11111111, 0.11111111], "weight": 0.03292181}, {"abc": [0.33333333, 0.11111111, 0.11111111], "weight": 0.03292181}, {"abc": [-0.11111111, 0.11111111, 0.11111111], "weight": 0.00823045}, {"abc": [0.22222222, 0.22222222, 0.11111111], "weight": 0.03292181}, {"abc": [0.33333333, 0.22222222, 0.11111111], "weight": 0.03292181}, {"abc": [-0.22222222, 0.22222222, 0.11111111], "weight": 0.03292181}, {"abc": [-0.33333333, 0.33333333, 0.11111111], "weight": 0.03292181}, {"abc": [-0.22222222, 0.33333333, 0.11111111], "weight": 0.03292181}, {"abc": [-0.44444444, 0.44444444, 0.11111111], "weight": 0.03292181}, {"abc": [-0.33333333, 0.44444444, 0.11111111], "weight": 0.06584362}, {"abc": [-0.44444444, -0.44444444, 0.11111111], "weight": 0.03292181}, {"abc": [-0.33333333, -0.44444444, 0.11111111], "weight": 0.03292181}, {"abc": [0.22222222, 0.22222222, 0.22222222], "weight": 0.01097394}, {"abc": [-0.22222222, 0.22222222, 0.22222222], "weight": 0.00823045}, {"abc": [-0.33333333, 0.33333333, 0.22222222], "weight": 0.03292181}, {"abc": [-0.44444444, 0.44444444, 0.22222222], "weight": 0.03292181}, {"abc": [-0.33333333, 0.44444444, 0.22222222], "weight": 0.03292181}, {"abc": [-0.44444444, -0.44444444, 0.22222222], "weight": 0.03292181}, {"abc": [-0.33333333, 0.33333333, 0.33333333], "weight": 0.00823045}, {"abc": [-0.44444444, 0.44444444, 0.33333333], "weight": 0.03292181}, {"abc": [-0.44444444, -0.44444444, 0.33333333], "weight": 0.01097394}, {"abc": [-0.44444444, 0.44444444, 0.44444444], "weight": 0.00823045}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 8e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 24.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 1.1e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 48, "NGY": 48, "NGZ": 48, "NGXF": 96, "NGYF": 96, "NGZF": 96, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 8e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.08320438, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-0.0, 0.9164939106194031, 0.9164939106194031], [0.9164939106194031, 0.0, 0.9164939106194031], [0.9164939106194031, 0.9164939106194031, 0.0]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [1.673593913768, 5.101431913768, -1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.04032508623199993, 3.387512913768, 0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.754244086232, 1.754244086232, 1.754244086232], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -15.23174462, "e_wo_entrp": -15.23194936, "e_0_energy": 0.00061421, "forces": [[-0.00254243, 0.00254243, 0.00254243], [0.00254243, -0.00254243, 0.00254243], [0.00254243, 0.00254243, -0.00254243], [0.00254243, -0.00254243, 0.00254243], [-0.00254243, 0.00254243, 0.00254243], [0.00254243, 0.00254243, -0.00254243], [-0.00254243, -0.00254243, -0.00254243], [-0.00254243, -0.00254243, -0.00254243]], "stress": [[-0.29951206, 0.0, 0.0], [0.0, -0.29951206, 0.0], [0.0, 0.0, -0.29951206]], "electronic_steps": [{"alphaZ": 32.9360434, "ewald": -550.33416202, "hartreedc": -3.00862972, "XCdc": 50.09831715, "pawpsdc": 47.11569305, "pawaedc": -50.39358244, "eentropy": -0.00192755, "bandstr": -1314.66273817, "atom": 1622.27060989, "e_fr_energy": -165.98037641, "e_wo_entrp": -165.97844886, "e_0_energy": -165.97973389}, {"e_fr_energy": -292.94537887, "e_wo_entrp": -292.94757192, "e_0_energy": -292.94610989}, {"e_fr_energy": -300.90799086, "e_wo_entrp": -300.90664729, "e_0_energy": -300.907543}, {"e_fr_energy": -301.21611225, "e_wo_entrp": -301.21628663, "e_0_energy": -301.21617038}, {"e_fr_energy": -301.22236377, "e_wo_entrp": -301.22262687, "e_0_energy": -301.22245147}, {"e_fr_energy": -122.29895583, "e_wo_entrp": -122.29865737, "e_0_energy": -122.29885634}, {"e_fr_energy": -16.78859008, "e_wo_entrp": -16.78948245, "e_0_energy": -16.78888753}, {"e_fr_energy": -17.47664125, "e_wo_entrp": -17.47739189, "e_0_energy": -17.47689147}, {"e_fr_energy": -17.41858348, "e_wo_entrp": -17.41932214, "e_0_energy": -17.4188297}, {"e_fr_energy": -14.8187584, "e_wo_entrp": -14.81920944, "e_0_energy": -14.81890875}, {"e_fr_energy": -15.10399929, "e_wo_entrp": -15.10453292, "e_0_energy": -15.10417717}, {"e_fr_energy": -15.15805659, "e_wo_entrp": -15.15861719, "e_0_energy": -15.15824346}, {"e_fr_energy": -15.2015394, "e_wo_entrp": -15.20212348, "e_0_energy": -15.20173409}, {"e_fr_energy": -15.22371969, "e_wo_entrp": -15.22431824, "e_0_energy": -15.22391921}, {"e_fr_energy": -15.23089656, "e_wo_entrp": -15.23150493, "e_0_energy": -15.23109935}, {"e_fr_energy": -15.23171755, "e_wo_entrp": -15.23232982, "e_0_energy": -15.23192164}, {"e_fr_energy": -15.23176002, "e_wo_entrp": -15.2323739, "e_0_energy": -15.23196465}, {"e_fr_energy": -15.23174804, "e_wo_entrp": -15.23236217, "e_0_energy": -15.23195275}, {"alphaZ": 32.9360434, "ewald": -550.33416202, "hartreedc": -256.53602774, "XCdc": 86.71411404, "pawpsdc": 486.34111019, "pawaedc": -676.57917129, "eentropy": 0.00061421, "bandstr": -760.0448753, "atom": 1622.27060989, "e_fr_energy": -15.23174462, "e_wo_entrp": -15.23235883, "e_0_energy": -15.23194936}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [1.673593913768, 5.101431913768, -1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.04032508623199993, 3.387512913768, 0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.754244086232, 1.754244086232, 1.754244086232], "label": "Li"}]}}], "efermi": -0.21800224, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [1.673593913768, 5.101431913768, -1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.04032508623199993, 3.387512913768, 0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.754244086232, 1.754244086232, 1.754244086232], "label": "Li"}]}, "energy": -15.23194936, "energy_per_atom": -1.90399367, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.218, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.213}, {"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.214}, {"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.214}, {"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.214}, {"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.213}, {"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.214}, {"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.214}, {"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.213}], "total_magnetization": 0.0003904, "nelect": 23.9999999, "is_stopped": false}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 8.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2014-12-08-08-00-20-007528/launcher_2014-12-08-14-41-01-075779", "completed_at": "2014-12-22 16:24:28", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59959777d1b6dd2131a67126"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59959777d1b6dd2131a67129"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 44508.0, "Elapsed time (sec)": 83.851, "System time (sec)": 1.424, "User time (sec)": 81.457, "Total CPU time used (sec)": 82.881, "cores": "48"}, "overall": {"Total CPU time used (sec)": 82.881, "User time (sec)": 81.457, "System time (sec)": 1.424, "Elapsed time (sec)": 83.851}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2014-12-22 16:24:28", "nsites": 8, "composition_unit_cell": {"Li": 8.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [1.673593913768, 5.101431913768, -1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.04032508623199993, 3.387512913768, 0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.754244086232, 1.754244086232, 1.754244086232], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 8e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 20, "NELECT": 24.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 1.1e-07, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 48, "NGY": 48, "NGZ": 48, "NGXF": 96, "NGYF": 96, "NGZF": 96, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 8e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": true, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.08320438, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 8e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false, "LDAU": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.988236], "xyz": [1.673593913768, 5.101431913768, -1.673593913768], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.040325086231999985, 3.387512913768, 0.040325086231999985], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.7542440862320001, 1.754244086232, 1.754244086232], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5723217671610161, "energy": -15.23194936, "energy_per_atom": -1.90399367, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "I-43d", "number": 220, "point_group": "-43m", "crystal_system": "cubic", "hall": "I -4bd 2c 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2014-12-22 16:24:28"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11"}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re", "Rb": "Rb_pv", "Rh": "Rh", "Be": "Be", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os", "Ge": "Ge", "Gd": "Gd", "Ga": "Ga", "Pr": "Pr", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm", "Ho": "Ho_3", "Hf": "Hf", "Hg": "Hg", "He": "He", "Mg": "Mg", "K": "K_sv", "Mn": "Mn", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr", "Er": "Er_3", "Ni": "Ni", "Na": "Na", "Nb": "Nb_pv", "Nd": "Nd", "Ne": "Ne", "Np": "Np", "Fe": "Fe", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr", "Cu": "Cu", "La": "La", "Li": "Li", "Tl": "Tl", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc", "Ta": "Ta", "Yb": "Yb", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In", "Mo": "Mo_pv"}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vaspio_set"}, "gamma_vasp_cmd": ["aprun", "-n", "48", "gvasp"], "vasp_cmd": ["aprun", "-n", "48", "vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-3.427838, 3.427838, 3.427838], [3.427838, -3.427838, 3.427838], [3.427838, 3.427838, -3.427838]], "a": 5.937189576115285, "b": 5.937189576115285, "c": 5.937189576115285, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 161.10939178586017}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.488236, 0.5, 0.0], "xyz": [0.04032508623199993, -0.04032508623199993, 3.387512913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.488236, 0.5], "xyz": [3.387512913768, 0.04032508623199993, -0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 1.0, 0.988236], "xyz": [5.101431913768, 1.673593913768, 1.7542440862320001], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.988236, 0.5], "xyz": [5.101431913768, -1.673593913768, 1.673593913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.988236, 0.5, 0.0], "xyz": [-1.673593913768, 1.673593913768, 5.101431913768], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.5, 0.0, 0.488236], "xyz": [-0.04032508623199993, 3.387512913768, 0.04032508623199993], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.011764, 0.011764, 0.011764], "xyz": [0.040325086232, 0.040325086232, 0.040325086232], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.511764, 0.511764, 0.511764], "xyz": [1.754244086232, 1.754244086232, 1.754244086232], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li8"}, "incar": {"ALGO": "Normal", "EDIFF": 8e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LDAU": false, "LEFG": false, "LMAXTAU": 0, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LRHFATM": false, "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6], "METAGGA": "--", "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[9, 9, 9]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-914336", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc78f442e927b78dbe3e829"}, "dir_name": "mc0661.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2015-09-17-13-54-00-368710/launcher_2015-09-18-01-42-44-954203", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.12", "has_vasp_completed": true, "nsites": 4, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 4e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.05882353, -0.0, 0.0], "genvec2": [-0.0, 0.05882353, 0.0], "genvec3": [0.0, 0.0, 0.16666667], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.0005767}, {"abc": [0.05882353, 0.0, 0.0], "weight": 0.00346021}, {"abc": [0.11764706, 0.0, 0.0], "weight": 0.00346021}, {"abc": [0.17647059, -0.0, 0.0], "weight": 0.00346021}, {"abc": [0.23529412, -0.0, 0.0], "weight": 0.00346021}, {"abc": [0.29411765, 0.0, 0.0], "weight": 0.00346021}, {"abc": [0.35294118, -0.0, 0.0], "weight": 0.00346021}, {"abc": [0.41176471, -0.0, 0.0], "weight": 0.00346021}, {"abc": [0.47058824, -0.0, 0.0], "weight": 0.00346021}, {"abc": [0.05882353, 0.05882353, 0.0], "weight": 0.00346021}, {"abc": [0.11764706, 0.05882353, 0.0], "weight": 0.00692042}, {"abc": [0.17647059, 0.05882353, 0.0], "weight": 0.00692042}, {"abc": [0.23529412, 0.05882353, 0.0], "weight": 0.00692042}, {"abc": [0.29411765, 0.05882353, 0.0], "weight": 0.00692042}, {"abc": [0.35294118, 0.05882353, 0.0], "weight": 0.00692042}, {"abc": [0.41176471, 0.05882353, 0.0], "weight": 0.00692042}, {"abc": [0.47058824, 0.05882353, 0.0], "weight": 0.00346021}, {"abc": [0.11764706, 0.11764706, 0.0], "weight": 0.00346021}, {"abc": [0.17647059, 0.11764706, 0.0], "weight": 0.00692042}, {"abc": [0.23529412, 0.11764706, 0.0], "weight": 0.00692042}, {"abc": [0.29411765, 0.11764706, 0.0], "weight": 0.00692042}, {"abc": [0.35294118, 0.11764706, 0.0], "weight": 0.00692042}, {"abc": [0.41176471, 0.11764706, 0.0], "weight": 0.00692042}, {"abc": [0.17647059, 0.17647059, 0.0], "weight": 0.00346021}, {"abc": [0.23529412, 0.17647059, 0.0], "weight": 0.00692042}, {"abc": [0.29411765, 0.17647059, 0.0], "weight": 0.00692042}, {"abc": [0.35294118, 0.17647059, 0.0], "weight": 0.00692042}, {"abc": [0.41176471, 0.17647059, 0.0], "weight": 0.00346021}, {"abc": [0.23529412, 0.23529412, 0.0], "weight": 0.00346021}, {"abc": [0.29411765, 0.23529412, 0.0], "weight": 0.00692042}, {"abc": [0.35294118, 0.23529412, 0.0], "weight": 0.00692042}, {"abc": [0.29411765, 0.29411765, 0.0], "weight": 0.00346021}, {"abc": [0.35294118, 0.29411765, 0.0], "weight": 0.00346021}, {"abc": [0.0, 0.0, 0.16666667], "weight": 0.0011534}, {"abc": [0.05882353, 0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.11764706, 0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.17647059, -0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.23529412, -0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.29411765, 0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.35294118, -0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.41176471, -0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.47058824, -0.0, 0.16666667], "weight": 0.00692042}, {"abc": [0.05882353, 0.05882353, 0.16666667], "weight": 0.00692042}, {"abc": [0.11764706, 0.05882353, 0.16666667], "weight": 0.01384083}, {"abc": [0.17647059, 0.05882353, 0.16666667], "weight": 0.01384083}, {"abc": [0.23529412, 0.05882353, 0.16666667], "weight": 0.01384083}, {"abc": [0.29411765, 0.05882353, 0.16666667], "weight": 0.01384083}, {"abc": [0.35294118, 0.05882353, 0.16666667], "weight": 0.01384083}, {"abc": [0.41176471, 0.05882353, 0.16666667], "weight": 0.01384083}, {"abc": [0.47058824, 0.05882353, 0.16666667], "weight": 0.00692042}, {"abc": [0.11764706, 0.11764706, 0.16666667], "weight": 0.00692042}, {"abc": [0.17647059, 0.11764706, 0.16666667], "weight": 0.01384083}, {"abc": [0.23529412, 0.11764706, 0.16666667], "weight": 0.01384083}, {"abc": [0.29411765, 0.11764706, 0.16666667], "weight": 0.01384083}, {"abc": [0.35294118, 0.11764706, 0.16666667], "weight": 0.01384083}, {"abc": [0.41176471, 0.11764706, 0.16666667], "weight": 0.01384083}, {"abc": [0.17647059, 0.17647059, 0.16666667], "weight": 0.00692042}, {"abc": [0.23529412, 0.17647059, 0.16666667], "weight": 0.01384083}, {"abc": [0.29411765, 0.17647059, 0.16666667], "weight": 0.01384083}, {"abc": [0.35294118, 0.17647059, 0.16666667], "weight": 0.01384083}, {"abc": [0.41176471, 0.17647059, 0.16666667], "weight": 0.00692042}, {"abc": [0.23529412, 0.23529412, 0.16666667], "weight": 0.00692042}, {"abc": [0.29411765, 0.23529412, 0.16666667], "weight": 0.01384083}, {"abc": [0.35294118, 0.23529412, 0.16666667], "weight": 0.01384083}, {"abc": [0.29411765, 0.29411765, 0.16666667], "weight": 0.00692042}, {"abc": [0.35294118, 0.29411765, 0.16666667], "weight": 0.00692042}, {"abc": [0.0, 0.0, 0.33333333], "weight": 0.0011534}, {"abc": [0.05882353, 0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.11764706, 0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.17647059, -0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.23529412, -0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.29411765, 0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.35294118, -0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.41176471, -0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.47058824, -0.0, 0.33333333], "weight": 0.00692042}, {"abc": [0.05882353, 0.05882353, 0.33333333], "weight": 0.00692042}, {"abc": [0.11764706, 0.05882353, 0.33333333], "weight": 0.01384083}, {"abc": [0.17647059, 0.05882353, 0.33333333], "weight": 0.01384083}, {"abc": [0.23529412, 0.05882353, 0.33333333], "weight": 0.01384083}, {"abc": [0.29411765, 0.05882353, 0.33333333], "weight": 0.01384083}, {"abc": [0.35294118, 0.05882353, 0.33333333], "weight": 0.01384083}, {"abc": [0.41176471, 0.05882353, 0.33333333], "weight": 0.01384083}, {"abc": [0.47058824, 0.05882353, 0.33333333], "weight": 0.00692042}, {"abc": [0.11764706, 0.11764706, 0.33333333], "weight": 0.00692042}, {"abc": [0.17647059, 0.11764706, 0.33333333], "weight": 0.01384083}, {"abc": [0.23529412, 0.11764706, 0.33333333], "weight": 0.01384083}, {"abc": [0.29411765, 0.11764706, 0.33333333], "weight": 0.01384083}, {"abc": [0.35294118, 0.11764706, 0.33333333], "weight": 0.01384083}, {"abc": [0.41176471, 0.11764706, 0.33333333], "weight": 0.01384083}, {"abc": [0.17647059, 0.17647059, 0.33333333], "weight": 0.00692042}, {"abc": [0.23529412, 0.17647059, 0.33333333], "weight": 0.01384083}, {"abc": [0.29411765, 0.17647059, 0.33333333], "weight": 0.01384083}, {"abc": [0.35294118, 0.17647059, 0.33333333], "weight": 0.01384083}, {"abc": [0.41176471, 0.17647059, 0.33333333], "weight": 0.00692042}, {"abc": [0.23529412, 0.23529412, 0.33333333], "weight": 0.00692042}, {"abc": [0.29411765, 0.23529412, 0.33333333], "weight": 0.01384083}, {"abc": [0.35294118, 0.23529412, 0.33333333], "weight": 0.01384083}, {"abc": [0.29411765, 0.29411765, 0.33333333], "weight": 0.00692042}, {"abc": [0.35294118, 0.29411765, 0.33333333], "weight": 0.00692042}, {"abc": [0.0, 0.0, 0.5], "weight": 0.0005767}, {"abc": [0.05882353, 0.0, 0.5], "weight": 0.00346021}, {"abc": [0.11764706, 0.0, 0.5], "weight": 0.00346021}, {"abc": [0.17647059, -0.0, 0.5], "weight": 0.00346021}, {"abc": [0.23529412, -0.0, 0.5], "weight": 0.00346021}, {"abc": [0.29411765, 0.0, 0.5], "weight": 0.00346021}, {"abc": [0.35294118, -0.0, 0.5], "weight": 0.00346021}, {"abc": [0.41176471, -0.0, 0.5], "weight": 0.00346021}, {"abc": [0.47058824, -0.0, 0.5], "weight": 0.00346021}, {"abc": [0.05882353, 0.05882353, 0.5], "weight": 0.00346021}, {"abc": [0.11764706, 0.05882353, 0.5], "weight": 0.00692042}, {"abc": [0.17647059, 0.05882353, 0.5], "weight": 0.00692042}, {"abc": [0.23529412, 0.05882353, 0.5], "weight": 0.00692042}, {"abc": [0.29411765, 0.05882353, 0.5], "weight": 0.00692042}, {"abc": [0.35294118, 0.05882353, 0.5], "weight": 0.00692042}, {"abc": [0.41176471, 0.05882353, 0.5], "weight": 0.00692042}, {"abc": [0.47058824, 0.05882353, 0.5], "weight": 0.00346021}, {"abc": [0.11764706, 0.11764706, 0.5], "weight": 0.00346021}, {"abc": [0.17647059, 0.11764706, 0.5], "weight": 0.00692042}, {"abc": [0.23529412, 0.11764706, 0.5], "weight": 0.00692042}, {"abc": [0.29411765, 0.11764706, 0.5], "weight": 0.00692042}, {"abc": [0.35294118, 0.11764706, 0.5], "weight": 0.00692042}, {"abc": [0.41176471, 0.11764706, 0.5], "weight": 0.00692042}, {"abc": [0.17647059, 0.17647059, 0.5], "weight": 0.00346021}, {"abc": [0.23529412, 0.17647059, 0.5], "weight": 0.00692042}, {"abc": [0.29411765, 0.17647059, 0.5], "weight": 0.00692042}, {"abc": [0.35294118, 0.17647059, 0.5], "weight": 0.00692042}, {"abc": [0.41176471, 0.17647059, 0.5], "weight": 0.00346021}, {"abc": [0.23529412, 0.23529412, 0.5], "weight": 0.00346021}, {"abc": [0.29411765, 0.23529412, 0.5], "weight": 0.00692042}, {"abc": [0.35294118, 0.23529412, 0.5], "weight": 0.00692042}, {"abc": [0.29411765, 0.29411765, 0.5], "weight": 0.00346021}, {"abc": [0.35294118, 0.29411765, 0.5], "weight": 0.00346021}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 4e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 12.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": 1, "SIGMA": 0.2, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": true, "WEIMIN": 0.0, "EBREAK": 8e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 80, "NGXF": 48, "NGYF": 48, "NGZF": 160, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 4e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.03787481, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LHARTREE": true, "IBSE": 0, "LTCTE": false, "LTETE": false, "LFXCEPS": false, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "OPTEMAX": 0.0, "DIM": 3, "ANTIRES": 0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.0459270896396324, -1.1812168387673572, 0.0], [2.0459270896396324, 1.1812168387673572, 0.0], [0.0, 0.0, 0.6394863281061053]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.8865431064160001, 7.3690222499999996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.8865431064160001, 2.45634075], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -7.61685712, "e_wo_entrp": -7.61589874, "e_0_energy": -0.00287514, "forces": [[-0.0, 0.0, 0.0], [-0.0, -0.0, 0.0], [0.0, -0.0, 0.0], [-0.0, 0.0, 0.0]], "stress": [[0.03063826, 0.0, 0.0], [0.0, 0.03063825, 0.0], [0.0, 0.0, 2.0950205]], "electronic_steps": [{"alphaZ": 16.53003335, "ewald": -275.48610413, "hartreedc": -129.90498314, "XCdc": 43.8084329, "pawpsdc": 227.77222687, "pawaedc": -322.6291097, "eentropy": -0.00022583, "bandstr": -341.20107729, "atom": 811.13530494, "e_fr_energy": 30.02449797, "e_wo_entrp": 30.0247238, "e_0_energy": 30.02457325}, {"e_fr_energy": -5.54007946, "e_wo_entrp": -5.54067462, "e_0_energy": -5.54027785}, {"e_fr_energy": -6.36911248, "e_wo_entrp": -6.37038268, "e_0_energy": -6.36953588}, {"e_fr_energy": -6.3868655, "e_wo_entrp": -6.38818515, "e_0_energy": -6.38730538}, {"e_fr_energy": -6.38750094, "e_wo_entrp": -6.38882088, "e_0_energy": -6.38794092}, {"e_fr_energy": -7.11758915, "e_wo_entrp": -7.118117, "e_0_energy": -7.1177651}, {"e_fr_energy": -7.50311041, "e_wo_entrp": -7.50508896, "e_0_energy": -7.50376993}, {"e_fr_energy": -7.58362172, "e_wo_entrp": -7.58364661, "e_0_energy": -7.58363001}, {"e_fr_energy": -7.61400048, "e_wo_entrp": -7.61143005, "e_0_energy": -7.61314367}, {"e_fr_energy": -7.61633777, "e_wo_entrp": -7.61350092, "e_0_energy": -7.61539215}, {"e_fr_energy": -7.61680583, "e_wo_entrp": -7.61392928, "e_0_energy": -7.61584698}, {"e_fr_energy": -7.61684372, "e_wo_entrp": -7.61397031, "e_0_energy": -7.61588592}, {"e_fr_energy": -7.61685642, "e_wo_entrp": -7.61398125, "e_0_energy": -7.61589803}, {"alphaZ": 16.53003335, "ewald": -275.48610413, "hartreedc": -128.13337901, "XCdc": 43.36577915, "pawpsdc": 243.33051416, "pawaedc": -338.42965257, "eentropy": -0.00287514, "bandstr": -379.92647787, "atom": 811.13530494, "e_fr_energy": -7.61685712, "e_wo_entrp": -7.61398198, "e_0_energy": -7.61589874}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.8865431064160001, 7.3690222499999996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.8865431064160001, 2.45634075], "label": "Li"}]}}], "efermi": -0.22682319, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.8865431064160001, 7.3690222499999996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.8865431064160001, 2.45634075], "label": "Li"}]}, "energy": -7.61589874, "energy_per_atom": -1.903974685, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2268, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}, {"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.106, "p": 0.108, "d": 0.0, "tot": 2.215}, {"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.215}, {"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.215}, {"s": 2.107, "p": 0.108, "d": 0.0, "tot": 2.215}], "total_magnetization": 0.0012339, "nelect": 11.9999995, "is_stopped": false}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 4.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2015-09-17-13-54-00-368710/launcher_2015-09-18-01-42-44-954203", "completed_at": "2015-09-17 18:47:46", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5992f9ecc2ea1a6661f4ed6d"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5992f9ecc2ea1a6661f4ed70"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 133884.0, "Elapsed time (sec)": 117.974, "System time (sec)": 9.288, "User time (sec)": 107.184, "Total CPU time used (sec)": 116.472, "cores": "4"}, "overall": {"Total CPU time used (sec)": 116.472, "User time (sec)": 107.184, "System time (sec)": 9.288, "Elapsed time (sec)": 117.974}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2015-09-17 18:47:46", "nsites": 4, "composition_unit_cell": {"Li": 4.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.8865431064160001, 7.3690222499999996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.8865431064160001, 2.45634075], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "unknown system", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 4e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 12.0, "TURBO": 0, "IRESTART": 0, "NREBOOT": 0, "NMIN": 0, "EREF": 0.0, "ISMEAR": 1, "SIGMA": 0.2, "KSPACING": 0.5, "KGAMMA": true, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "NLSPLINE": false, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 2, "ENINI": 520.0, "LDIAG": true, "LSUBROT": true, "WEIMIN": 0.0, "EBREAK": 8e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 80, "NGXF": 48, "NGYF": 48, "NGZF": 160, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 4e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "SCALEE": 1.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LVHAR": true, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": -1, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "LORBITALREAL": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "DARWINR": [0.0], "DARWINV": [1.0], "LCORR": true, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "PRECFOCK": "", "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "LFOCKAEDFT": false, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "LUSE_VDW": false, "Zab_VDW": -0.8491, "PARAM1": 0.1234, "PARAM2": 1.0, "PARAM3": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.03787481, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "NUCIND": false, "MAGPOS": [0.0, 0.0, 0.0], "LNICSALL": true, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LADDER": false, "LHARTREE": true, "IBSE": 0, "LTCTE": false, "LTETE": false, "LFXCEPS": false, "L2ORDER": false, "LUSEW": false, "ENCUTGW": -2.0, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSO": -1, "NBANDSV": -1, "OPTEMAX": 0.0, "DIM": 3, "ANTIRES": 0, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1800, "TELESCOPE": 0}, "incar": {"ISTART": 1, "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "IBRION": -1, "EDIFF": 4e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "LREAL": "Auto", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LVHAR": true, "LORBIT": false, "LAECHG": true}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.535535, -0.8865431064160001, 7.3690222499999996], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li", "properties": {"magmom": 0.0}}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.535535, 0.8865431064160001, 2.45634075], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5744768903899506, "energy": -7.61589874, "energy_per_atom": -1.903974685, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-09-17 18:47:46"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "LDAUPRINT": 1, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11", "ICHARG": 1}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": {"symbol": "Ru_pv", "hash": "7925f4d4b68076d70af7cd86eef9ba8d"}, "Re": {"symbol": "Re", "hash": "72385e193c92a8acfe17ea49004c2be1"}, "Rb": {"symbol": "Rb_pv", "hash": "e447c648d870b066b3514e6b800727ab"}, "Rh": {"symbol": "Rh", "hash": "2c3dba3fcc6058ca1b1cfa75e45084bc"}, "Be": {"symbol": "Be", "hash": "fb974e44d56a8c62c6bbd1a1eb70c3a7"}, "Ba": {"symbol": "Ba_sv", "hash": "c0477913afb63dfae3439f3534fbf0ed"}, "Bi": {"symbol": "Bi", "hash": "e29661c79d59abae3b3ba69eae24b1a5"}, "Br": {"symbol": "Br", "hash": "40f9594b4506684a69158c8975cfb9d6"}, "H": {"symbol": "H", "hash": "bb43c666e3d36577264afe07669e9582"}, "P": {"symbol": "P", "hash": "7dc3393307131ae67785a0cdacb61d5f"}, "Os": {"symbol": "Os", "hash": "35c2cb48d48a9c38c40fb82bbe70626d"}, "Ge": {"symbol": "Ge", "hash": "79e788788c31e196a460553010512d3f"}, "Gd": {"symbol": "Gd", "hash": "1f0d42b1e5f6769d319d3f247992aeb9"}, "Ga": {"symbol": "Ga", "hash": "6e0b9d58412b1bfcd7252aff13d476c2"}, "Pr": {"symbol": "Pr", "hash": "92f191499bf5346ea652bb806350ad87"}, "Pt": {"symbol": "Pt", "hash": "a604ea3c6a9cc23c739b762f625cf449"}, "Pu": {"symbol": "Pu", "hash": "f1d01e845dccc52d448679911f301a73"}, "C": {"symbol": "C", "hash": "c0a8167dbb174fe492a3db7f5006c0f8"}, "Pb": {"symbol": "Pb", "hash": "704c2c967247d7f84090d2536c91877d"}, "Pa": {"symbol": "Pa", "hash": "a1fdb1089d0727f415416ec8082246ba"}, "Pd": {"symbol": "Pd", "hash": "a395eb3aaf2fcab12fac3030a1146f61"}, "Cd": {"symbol": "Cd", "hash": "0506b2d0ac28d5fe2b5ced77a701aa86"}, "Pm": {"symbol": "Pm", "hash": "a2c9485ea86b2a7cf175077e6e5c7b3e"}, "Ho": {"symbol": "Ho_3", "hash": "661891464a27e87cf7e1324dd1893b77"}, "Hf": {"symbol": "Hf", "hash": "b113f150cbf9c736f8244a6c25b0482e"}, "Hg": {"symbol": "Hg", "hash": "c2f15dfb5fd53396c5427635e5019160"}, "He": {"symbol": "He", "hash": "47f9434aa3db96c85d7c4b3e4c2df09b"}, "Mg": {"symbol": "Mg", "hash": "1771eb72adbbfa6310d66e7517e49930"}, "K": {"symbol": "K_sv", "hash": "3e84f86d37f203a4fb01de36af57e430"}, "Mn": {"symbol": "Mn", "hash": "d082dba29b57ab59b3165e605dbf71b8"}, "O": {"symbol": "O", "hash": "7a25bc5b9a5393f46600a4939d357982"}, "S": {"symbol": "S", "hash": "d368db6899d8839859bbee4811a42a88"}, "W": {"symbol": "W_pv", "hash": "2a33e0d5c700640535f60ac0a12177ab"}, "Zn": {"symbol": "Zn", "hash": "e35ee27f8483a63bb68dbc236a343af3"}, "Eu": {"symbol": "Eu", "hash": "d466d046adf21f6146ee9644049ea268"}, "Zr": {"symbol": "Zr", "hash": "d221d2c0bac4f8e81af2f5c42a314274"}, "Er": {"symbol": "Er_3", "hash": "daa65a04877317f8c3c593ddeaa8a132"}, "Ni": {"symbol": "Ni", "hash": "653f5772e68b2c7fd87ffd1086c0d710"}, "Na": {"symbol": "Na", "hash": "1a89e79f7e21d99e8cf5788979f6a987"}, "Nb": {"symbol": "Nb_pv", "hash": "7bcee99a4dc3094be0f9fd7961c02966"}, "Nd": {"symbol": "Nd", "hash": "0c64e63070cee837c967283fffa001df"}, "Ne": {"symbol": "Ne", "hash": "52064eee378b9e37a295a674f1c278f0"}, "Np": {"symbol": "Np", "hash": "20cb30b714200c4db870550b288ac4cd"}, "Fe": {"symbol": "Fe", "hash": "9530da8244e4dac17580869b4adab115"}, "B": {"symbol": "B", "hash": "18ed2875dfa6305324cec3d7d59273ae"}, "F": {"symbol": "F", "hash": "180141c33d032bfbfff30b3bea9d23dd"}, "Sr": {"symbol": "Sr_sv", "hash": "ca6a5429c120a0ab705824386a76fe5b"}, "N": {"symbol": "N", "hash": "b98fd027ddebc67da4063ff2cabbc04b"}, "Kr": {"symbol": "Kr", "hash": "39b9b85ae3982e6c012fb549b2840ce5"}, "Si": {"symbol": "Si", "hash": "b2b0ea6feb62e7cde209616683b8f7f5"}, "Sn": {"symbol": "Sn_d", "hash": "849b0795e148f93113a06be8fd5f5001"}, "Sm": {"symbol": "Sm_3", "hash": "e5e274e7cd99602ca81d146155abdf88"}, "V": {"symbol": "V_pv", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}, "Sc": {"symbol": "Sc_sv", "hash": "dc386f505ad0c43385a7715b4111cb75"}, "Sb": {"symbol": "Sb", "hash": "d82c022b02fc5344e85bd1909f9ee3e7"}, "Se": {"symbol": "Se", "hash": "67a8804ede9f1112726e3d136978ef19"}, "Co": {"symbol": "Co", "hash": "b169bca4e137294d2ab3df8cbdd09083"}, "Cl": {"symbol": "Cl", "hash": "779b9901046c78fe51c5d80224642aeb"}, "Ca": {"symbol": "Ca_sv", "hash": "eb006721e214c04b3c13146e81b3a27d"}, "Ce": {"symbol": "Ce", "hash": "ff3a09f2ff91798e58eb4b9854e9be4a"}, "Xe": {"symbol": "Xe", "hash": "338472e581f58b41d37c002a5e22353b"}, "Tm": {"symbol": "Tm_3", "hash": "94a07cb7949b01305cb161da0cbfb492"}, "Cs": {"symbol": "Cs_sv", "hash": "096b53a7d80cc0086976bcda50d536e5"}, "Cr": {"symbol": "Cr", "hash": "82c14307937c7509fda4e9bc023d243d"}, "Cu": {"symbol": "Cu", "hash": "8ca4e43a30de0c397e51f16bbb20d678"}, "La": {"symbol": "La", "hash": "9b3ce03d18f7c0b40471a817ff91b287"}, "Li": {"symbol": "Li", "hash": "65e83282d1707ec078c1012afbd05be8"}, "Tl": {"symbol": "Tl", "hash": "2aa0d5406aaab7ebfbc761da382f1352"}, "Lu": {"symbol": "Lu_3", "hash": "d40a90babf1224b88ffb4c3273ac3848"}, "Th": {"symbol": "Th", "hash": "aea79f322180fa6f0bfa74cb2a156dcf"}, "Ti": {"symbol": "Ti", "hash": "c617e8b539c3f44a0ab6e8da2a92d318"}, "Te": {"symbol": "Te", "hash": "72719856e22fb1d3032df6f96d98a0f2"}, "Tb": {"symbol": "Tb_3", "hash": "0790955c547003956c0fd4f080f7f508"}, "Tc": {"symbol": "Tc", "hash": "9592642886319309a39d55c5717c6f48"}, "Ta": {"symbol": "Ta", "hash": "d4e2cfe9338ef80da592d5bb9dc782c7"}, "Yb": {"symbol": "Yb", "hash": "9f472bd422f640710f7d93e2d9ce89f4"}, "Dy": {"symbol": "Dy_3", "hash": "d4a05220ab0a2d4c03a76872ea724a1e"}, "I": {"symbol": "I", "hash": "f4ff16a495dd361ff5824ee61b418bb0"}, "U": {"symbol": "U", "hash": "72702eabbb1bc02b4167590dc848ed5d"}, "Y": {"symbol": "Y_sv", "hash": "4ed187e77cd54f198bb88020278b143d"}, "Ac": {"symbol": "Ac", "hash": "d6854224d20e3de6e6fd7399503791d1"}, "Ag": {"symbol": "Ag", "hash": "e8ffa02fe3f3a51338ac1ac91ae968b9"}, "Ir": {"symbol": "Ir", "hash": "dbcf7dcc6f4fb40df7b3d26904f60a66"}, "Al": {"symbol": "Al", "hash": "a6fd9a46aec185f4ad2acd0cbe4ae2fa"}, "As": {"symbol": "As", "hash": "8005364db225a254e52cba350bedd032"}, "Ar": {"symbol": "Ar", "hash": "e782fc6292623b396091bf8b871c272f"}, "Au": {"symbol": "Au", "hash": "a9182d436a13194b744640ac940ab9b0"}, "In": {"symbol": "In", "hash": "7df38c0cdb4e6d9a9b93f09d690bb3ae"}, "Mo": {"symbol": "Mo_pv", "hash": "84e18fd84a98e3d7fa8f055952410df0"}}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vasp.sets"}, "gamma_vasp_cmd": ["ibrun", "-n", "4", "gvasp"], "vasp_cmd": ["ibrun", "-n", "4", "/home/phuck/vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.535535, -2.659624, 0.0], [1.535535, 2.659624, 0.0], [0.0, 0.0, 9.825363]], "a": 3.0710694485148005, "b": 3.0710694485148005, "c": 9.825363, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998811945845, "volume": 80.25249871281241}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.666667, 0.333333, 0.75], "xyz": [1.5355350000000003, -0.8865431064160001, 7.3690222499999996], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 4.9126815], "label": "Li"}, {"species": [{"element": "Li", "occu": 1}], "abc": [0.333333, 0.666667, 0.25], "xyz": [1.5355350000000003, 0.8865431064160001, 2.45634075], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li4"}, "incar": {"ALGO": "Normal", "EDIFF": 4e-06, "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "ISTART": 1, "LAECHG": true, "LCHARG": true, "LORBIT": 11, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6, 0.6, 0.6, 0.6], "NELM": 100, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[17, 17, 6]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-976511", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc798552e927b78dbe56414"}, "dir_name": "mc0663.nersc.gov:/project/projectdirs/matgen/garden/dev/block_2015-05-12-16-10-25-233662/launcher_2015-09-15-18-00-40-314337", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "RubyVaspy :: V", "PREC": "accurate", "ALGO": "FAST", "ISPIN": 2, "ICHARG": 1, "NELM": 100, "NELMIN": 3, "IBRION": 1, "EDIFF": 2e-06, "NSW": 200, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[10, 10, 10]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.1, 0.0, 0.0], "genvec2": [0.0, 0.1, 0.0], "genvec3": [0.0, 0.0, 0.1], "shift": [0.5, 0.5, 0.5], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.05, 0.05, 0.05], "weight": 0.008}, {"abc": [0.15, 0.05, 0.05], "weight": 0.024}, {"abc": [0.25, 0.05, 0.05], "weight": 0.024}, {"abc": [0.35, 0.05, 0.05], "weight": 0.024}, {"abc": [0.45, 0.05, 0.05], "weight": 0.012}, {"abc": [-0.05, 0.05, 0.05], "weight": 0.006}, {"abc": [0.15, 0.15, 0.05], "weight": 0.024}, {"abc": [0.25, 0.15, 0.05], "weight": 0.048}, {"abc": [0.35, 0.15, 0.05], "weight": 0.048}, {"abc": [-0.15, 0.15, 0.05], "weight": 0.024}, {"abc": [0.25, 0.25, 0.05], "weight": 0.024}, {"abc": [0.35, 0.25, 0.05], "weight": 0.024}, {"abc": [-0.25, 0.25, 0.05], "weight": 0.024}, {"abc": [-0.15, 0.25, 0.05], "weight": 0.024}, {"abc": [-0.35, 0.35, 0.05], "weight": 0.024}, {"abc": [-0.25, 0.35, 0.05], "weight": 0.048}, {"abc": [-0.45, 0.45, 0.05], "weight": 0.024}, {"abc": [-0.35, 0.45, 0.05], "weight": 0.048}, {"abc": [-0.25, 0.45, 0.05], "weight": 0.024}, {"abc": [-0.45, -0.45, 0.05], "weight": 0.024}, {"abc": [-0.35, -0.45, 0.05], "weight": 0.048}, {"abc": [-0.35, -0.35, 0.05], "weight": 0.008}, {"abc": [0.15, 0.15, 0.15], "weight": 0.008}, {"abc": [0.25, 0.15, 0.15], "weight": 0.024}, {"abc": [0.35, 0.15, 0.15], "weight": 0.012}, {"abc": [-0.15, 0.15, 0.15], "weight": 0.006}, {"abc": [0.25, 0.25, 0.15], "weight": 0.024}, {"abc": [-0.25, 0.25, 0.15], "weight": 0.024}, {"abc": [-0.35, 0.35, 0.15], "weight": 0.024}, {"abc": [-0.25, 0.35, 0.15], "weight": 0.024}, {"abc": [-0.45, 0.45, 0.15], "weight": 0.024}, {"abc": [-0.35, 0.45, 0.15], "weight": 0.048}, {"abc": [-0.45, -0.45, 0.15], "weight": 0.024}, {"abc": [-0.35, -0.45, 0.15], "weight": 0.024}, {"abc": [0.25, 0.25, 0.25], "weight": 0.002}, {"abc": [-0.25, 0.25, 0.25], "weight": 0.006}, {"abc": [-0.35, 0.35, 0.25], "weight": 0.024}, {"abc": [-0.45, 0.45, 0.25], "weight": 0.024}, {"abc": [-0.35, 0.45, 0.25], "weight": 0.024}, {"abc": [-0.45, -0.45, 0.25], "weight": 0.024}, {"abc": [-0.35, 0.35, 0.35], "weight": 0.006}, {"abc": [-0.45, 0.45, 0.35], "weight": 0.024}, {"abc": [-0.45, -0.45, 0.35], "weight": 0.008}, {"abc": [-0.45, 0.45, 0.45], "weight": 0.006}]}, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "RubyVaspy :: V", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 2e-06, "IALGO": 68, "IWAVPR": 11, "NBANDS": 12, "NELECT": 11.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 1, "ICHARG": 1, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.001, "EBREAK": 4e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 200, "IBRION": 1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 2e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 200, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": true, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 1, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05789625, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.57082859956108, 1.4842685817822552, 0.0], [0.0, 2.9685371635645104, 0.0], [0.8569428698261013, 1.484268587507967, 2.423800450293424]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.44523822, 0.0, -0.86452226], [-1.22261911, 2.11763842, -0.86452226], [0.0, 0.0, 2.59356679]], "a": 2.593566789304697, "b": 2.5935667918973664, "c": 2.59356679, "alpha": 109.47122054156601, "beta": 109.47122056181612, "gamma": 109.47122068691515, "volume": 13.429827041608227}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -9.07993807, "e_wo_entrp": -9.0791939, "e_0_energy": -0.00223251, "forces": [[0.0, 0.0, 0.0]], "stress": [[-1.22068486, 0.0, 0.0], [0.0, -1.22068486, 0.0], [0.0, 0.0, -1.22068486]], "electronic_steps": [{"alphaZ": 102.5352278, "ewald": -1058.65525526, "hartreedc": -254.33240239, "XCdc": 27.05315456, "pawpsdc": 976.3715873, "pawaedc": -956.00068517, "eentropy": -0.00228633, "bandstr": -167.38528609, "atom": 1321.33482025, "e_fr_energy": -9.08112534, "e_wo_entrp": -9.07883901, "e_0_energy": -9.08036323}, {"e_fr_energy": -9.07993906, "e_wo_entrp": -9.07770414, "e_0_energy": -9.07919408}, {"alphaZ": 102.5352278, "ewald": -1058.65525526, "hartreedc": -254.33621805, "XCdc": 27.05329729, "pawpsdc": 976.38523556, "pawaedc": -956.01486837, "eentropy": -0.00223251, "bandstr": -167.37994478, "atom": 1321.33482025, "e_fr_energy": -9.07993807, "e_wo_entrp": -9.07770557, "e_0_energy": -9.0791939}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.44523822, 0.0, -0.86452226], [-1.22261911, 2.11763842, -0.86452226], [0.0, 0.0, 2.59356679]], "a": 2.593566789304697, "b": 2.5935667918973664, "c": 2.59356679, "alpha": 109.47122054156601, "beta": 109.47122056181612, "gamma": 109.47122068691515, "volume": 13.429827041608227}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}, {"e_fr_energy": -9.07993218, "e_wo_entrp": -9.07920534, "e_0_energy": -0.00218054, "forces": [[0.0, 0.0, 0.0]], "stress": [[0.34035533, 0.0, 0.0], [0.0, 0.34035533, 0.0], [0.0, 0.0, 0.34035533]], "electronic_steps": [{"alphaZ": 102.68721879, "ewald": -1059.17808896, "hartreedc": -254.46061733, "XCdc": 27.07586023, "pawpsdc": 976.38111167, "pawaedc": -956.01077508, "eentropy": -0.00238553, "bandstr": -166.90742582, "atom": 1321.33482025, "e_fr_energy": -9.08028178, "e_wo_entrp": -9.07789625, "e_0_energy": -9.0794866}, {"e_fr_energy": -9.07993031, "e_wo_entrp": -9.07774894, "e_0_energy": -9.07920319}, {"alphaZ": 102.68721879, "ewald": -1059.17808896, "hartreedc": -254.08712295, "XCdc": 27.05833618, "pawpsdc": 976.2896788, "pawaedc": -955.93267988, "eentropy": -0.00218054, "bandstr": -167.24991386, "atom": 1321.33482025, "e_fr_energy": -9.07993218, "e_wo_entrp": -9.07775164, "e_0_energy": -9.07920534}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.4440312, 0.0, -0.86409552], [-1.2220156, 2.11659311, -0.86409552], [0.0, 0.0, 2.59228655]], "a": 2.5922865532686603, "b": 2.5922865558473474, "c": 2.59228655, "alpha": 109.47122066694111, "beta": 109.47122068709197, "gamma": 109.47122056173858, "volume": 13.409949128194686}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}], "efermi": null, "bandgap": 0.02149999999999963, "cbm": 6.0813, "vbm": 6.0598, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.4440312, 0.0, -0.86409552], [-1.2220156, 2.11659311, -0.86409552], [0.0, 0.0, 2.59228655]], "a": 2.5922865532686603, "b": 2.5922865558473474, "c": 2.59228655, "alpha": 109.47122066694111, "beta": 109.47122068709197, "gamma": 109.47122056173858, "volume": 13.409949128194686}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "energy": -9.07920534, "energy_per_atom": -9.07920534, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.9074, "magnetization": [], "charge": [], "total_magnetization": -8e-07, "nelect": 10.9999988, "is_stopped": false}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/project/projectdirs/matgen/garden/dev/block_2015-05-12-16-10-25-233662/launcher_2015-09-15-18-00-40-314337", "completed_at": "2015-09-15 12:37:34.291621", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 0.0, "Elapsed time (sec)": 10.257, "System time (sec)": 0.565, "User time (sec)": 8.551, "Total CPU time used (sec)": 9.116, "cores": "8"}, "overall": {"Total CPU time used (sec)": 9.116, "User time (sec)": 8.551, "System time (sec)": 0.565, "Elapsed time (sec)": 10.257}}, "chemsys": "V", "formula_anonymous": "A", "formula_reduced_abc": "V1", "completed_at": "2015-09-15 12:37:34.291621", "nsites": 1, "composition_unit_cell": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "elements": ["V"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[2.44523822, 0.0, -0.86452226], [-1.22261911, 2.11763842, -0.86452226], [0.0, 0.0, 2.59356679]], "a": 2.593566789304697, "b": 2.5935667918973664, "c": 2.59356679, "alpha": 109.47122054156601, "beta": 109.47122056181612, "gamma": 109.47122068691515, "volume": 13.429827041608227}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "RubyVaspy :: V", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 2e-06, "IALGO": 68, "IWAVPR": 11, "NBANDS": 12, "NELECT": 11.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 1, "ICHARG": 1, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.001, "EBREAK": 4e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 200, "IBRION": 1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 2e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 200, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": true, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 1, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.05789625, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "RubyVaspy :: V", "PREC": "accurate", "ALGO": "FAST", "ISPIN": 2, "ICHARG": 1, "NELM": 100, "NELMIN": 3, "IBRION": 1, "EDIFF": 2e-06, "NSW": 200, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[2.4440312, 0.0, -0.86409552], [-1.2220156, 2.11659311, -0.86409552], [0.0, 0.0, 2.59228655]], "a": 2.5922865532686603, "b": 2.5922865558473474, "c": 2.59228655, "alpha": 109.47122066694111, "beta": 109.47122068709194, "gamma": 109.47122056173858, "volume": 13.409949128194686}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": 0.0}}]}, "density": 6.308029113123708, "energy": -9.07920534, "energy_per_atom": -9.07920534, "forces": [[0.0, 0.0, 0.0]], "stress": [[0.34035533, 0.0, 0.0], [0.0, 0.34035533, 0.0], [0.0, 0.0, 0.34035533]], "bandgap": 0.02149999999999963, "cbm": 6.0813, "vbm": 6.0598, "is_gap_direct": false, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": -0.019877913413541393, "delta_volume_percent": -0.0014801317509120359, "max_force": 0.0, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-09-15 12:37:34"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "ICHARG": 1, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11"}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": "Ru_pv", "Re": "Re", "Rb": "Rb_pv", "Rh": "Rh", "Be": "Be", "Ba": "Ba_sv", "Bi": "Bi", "Br": "Br", "H": "H", "P": "P", "Os": "Os", "Ge": "Ge", "Gd": "Gd", "Ga": "Ga", "Pr": "Pr", "Pt": "Pt", "Pu": "Pu", "C": "C", "Pb": "Pb", "Pa": "Pa", "Pd": "Pd", "Cd": "Cd", "Pm": "Pm", "Ho": "Ho_3", "Hf": "Hf", "Hg": "Hg", "He": "He", "Mg": "Mg", "K": "K_sv", "Mn": "Mn", "O": "O", "S": "S", "W": "W_pv", "Zn": "Zn", "Eu": "Eu", "Zr": "Zr", "Er": "Er_3", "Ni": "Ni", "Na": "Na", "Nb": "Nb_pv", "Nd": "Nd", "Ne": "Ne", "Np": "Np", "Fe": "Fe", "B": "B", "F": "F", "Sr": "Sr_sv", "N": "N", "Kr": "Kr", "Si": "Si", "Sn": "Sn_d", "Sm": "Sm_3", "V": "V_pv", "Sc": "Sc_sv", "Sb": "Sb", "Se": "Se", "Co": "Co", "Cl": "Cl", "Ca": "Ca_sv", "Ce": "Ce", "Xe": "Xe", "Tm": "Tm_3", "Cs": "Cs_sv", "Cr": "Cr", "Cu": "Cu", "La": "La", "Li": "Li", "Tl": "Tl", "Lu": "Lu_3", "Th": "Th", "Ti": "Ti", "Te": "Te", "Tb": "Tb_3", "Tc": "Tc", "Ta": "Ta", "Yb": "Yb", "Dy": "Dy_3", "I": "I", "U": "U", "Y": "Y_sv", "Ac": "Ac", "Ag": "Ag", "Ir": "Ir", "Al": "Al", "As": "As", "Ar": "Ar", "Au": "Au", "In": "In", "Mo": "Mo_pv"}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vaspio_set"}, "gamma_vasp_cmd": ["aprun", "-n", "48", "gvasp"], "vasp_cmd": ["aprun", "-n", "48", "vasp"], "gzipped": false, "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5], "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: v", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-977611", "task_type": "GGA Static", "_magmom_fix": ["magmom fixed by copying from static"], "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc791082e927b78dbe418fa"}, "dir_name": "mc0621.nersc.gov:/project/projectdirs/matgen/garden/dev/block_2015-11-23-21-04-07-097168/launcher_2015-11-23-21-31-55-397534", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 2, "elements": ["Fe"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "RubyVaspy :: Fe", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 2e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0, 5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, -0.0, 0.0], "genvec2": [-0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.07692308], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00017443}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00104657}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00104657}, {"abc": [0.14285714, -0.0, 0.0], "weight": 0.00104657}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00104657}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00104657}, {"abc": [0.28571429, -0.0, 0.0], "weight": 0.00104657}, {"abc": [0.33333333, -0.0, 0.0], "weight": 0.00104657}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00104657}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00104657}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00104657}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00104657}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00209314}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00104657}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00104657}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00209314}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00209314}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00209314}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00209314}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00209314}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00209314}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00209314}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00104657}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00209314}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00209314}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00209314}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00209314}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00209314}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00104657}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00104657}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00209314}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00209314}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00209314}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00209314}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00104657}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00209314}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00209314}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00104657}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00104657}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00209314}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00034886}, {"abc": [0.0, 0.0, 0.07692308], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.0952381, 0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.14285714, -0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.19047619, 0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.23809524, 0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.28571429, -0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.33333333, -0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.38095238, 0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.42857143, 0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.47619048, 0.0, 0.07692308], "weight": 0.00209314}, {"abc": [0.04761905, 0.04761905, 0.07692308], "weight": 0.00209314}, {"abc": [0.0952381, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.14285714, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.19047619, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.23809524, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.28571429, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.33333333, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.38095238, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.42857143, 0.04761905, 0.07692308], "weight": 0.00418629}, {"abc": [0.47619048, 0.04761905, 0.07692308], "weight": 0.00209314}, {"abc": [0.0952381, 0.0952381, 0.07692308], "weight": 0.00209314}, {"abc": [0.14285714, 0.0952381, 0.07692308], "weight": 0.00418629}, {"abc": [0.19047619, 0.0952381, 0.07692308], "weight": 0.00418629}, {"abc": [0.23809524, 0.0952381, 0.07692308], "weight": 0.00418629}, {"abc": [0.28571429, 0.0952381, 0.07692308], "weight": 0.00418629}, {"abc": [0.33333333, 0.0952381, 0.07692308], "weight": 0.00418629}, {"abc": [0.38095238, 0.0952381, 0.07692308], "weight": 0.00418629}, {"abc": [0.42857143, 0.0952381, 0.07692308], "weight": 0.00418629}, {"abc": [0.14285714, 0.14285714, 0.07692308], "weight": 0.00209314}, {"abc": [0.19047619, 0.14285714, 0.07692308], "weight": 0.00418629}, {"abc": [0.23809524, 0.14285714, 0.07692308], "weight": 0.00418629}, {"abc": [0.28571429, 0.14285714, 0.07692308], "weight": 0.00418629}, {"abc": [0.33333333, 0.14285714, 0.07692308], "weight": 0.00418629}, {"abc": [0.38095238, 0.14285714, 0.07692308], "weight": 0.00418629}, {"abc": [0.42857143, 0.14285714, 0.07692308], "weight": 0.00209314}, {"abc": [0.19047619, 0.19047619, 0.07692308], "weight": 0.00209314}, {"abc": [0.23809524, 0.19047619, 0.07692308], "weight": 0.00418629}, {"abc": [0.28571429, 0.19047619, 0.07692308], "weight": 0.00418629}, {"abc": [0.33333333, 0.19047619, 0.07692308], "weight": 0.00418629}, {"abc": [0.38095238, 0.19047619, 0.07692308], "weight": 0.00418629}, {"abc": [0.23809524, 0.23809524, 0.07692308], "weight": 0.00209314}, {"abc": [0.28571429, 0.23809524, 0.07692308], "weight": 0.00418629}, {"abc": [0.33333333, 0.23809524, 0.07692308], "weight": 0.00418629}, {"abc": [0.38095238, 0.23809524, 0.07692308], "weight": 0.00209314}, {"abc": [0.28571429, 0.28571429, 0.07692308], "weight": 0.00209314}, {"abc": [0.33333333, 0.28571429, 0.07692308], "weight": 0.00418629}, {"abc": [0.33333333, 0.33333333, 0.07692308], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.15384615], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.0952381, 0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.14285714, -0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.19047619, 0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.23809524, 0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.28571429, -0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.33333333, -0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.38095238, 0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.42857143, 0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.47619048, 0.0, 0.15384615], "weight": 0.00209314}, {"abc": [0.04761905, 0.04761905, 0.15384615], "weight": 0.00209314}, {"abc": [0.0952381, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.14285714, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.19047619, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.23809524, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.28571429, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.33333333, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.38095238, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.42857143, 0.04761905, 0.15384615], "weight": 0.00418629}, {"abc": [0.47619048, 0.04761905, 0.15384615], "weight": 0.00209314}, {"abc": [0.0952381, 0.0952381, 0.15384615], "weight": 0.00209314}, {"abc": [0.14285714, 0.0952381, 0.15384615], "weight": 0.00418629}, {"abc": [0.19047619, 0.0952381, 0.15384615], "weight": 0.00418629}, {"abc": [0.23809524, 0.0952381, 0.15384615], "weight": 0.00418629}, {"abc": [0.28571429, 0.0952381, 0.15384615], "weight": 0.00418629}, {"abc": [0.33333333, 0.0952381, 0.15384615], "weight": 0.00418629}, {"abc": [0.38095238, 0.0952381, 0.15384615], "weight": 0.00418629}, {"abc": [0.42857143, 0.0952381, 0.15384615], "weight": 0.00418629}, {"abc": [0.14285714, 0.14285714, 0.15384615], "weight": 0.00209314}, {"abc": [0.19047619, 0.14285714, 0.15384615], "weight": 0.00418629}, {"abc": [0.23809524, 0.14285714, 0.15384615], "weight": 0.00418629}, {"abc": [0.28571429, 0.14285714, 0.15384615], "weight": 0.00418629}, {"abc": [0.33333333, 0.14285714, 0.15384615], "weight": 0.00418629}, {"abc": [0.38095238, 0.14285714, 0.15384615], "weight": 0.00418629}, {"abc": [0.42857143, 0.14285714, 0.15384615], "weight": 0.00209314}, {"abc": [0.19047619, 0.19047619, 0.15384615], "weight": 0.00209314}, {"abc": [0.23809524, 0.19047619, 0.15384615], "weight": 0.00418629}, {"abc": [0.28571429, 0.19047619, 0.15384615], "weight": 0.00418629}, {"abc": [0.33333333, 0.19047619, 0.15384615], "weight": 0.00418629}, {"abc": [0.38095238, 0.19047619, 0.15384615], "weight": 0.00418629}, {"abc": [0.23809524, 0.23809524, 0.15384615], "weight": 0.00209314}, {"abc": [0.28571429, 0.23809524, 0.15384615], "weight": 0.00418629}, {"abc": [0.33333333, 0.23809524, 0.15384615], "weight": 0.00418629}, {"abc": [0.38095238, 0.23809524, 0.15384615], "weight": 0.00209314}, {"abc": [0.28571429, 0.28571429, 0.15384615], "weight": 0.00209314}, {"abc": [0.33333333, 0.28571429, 0.15384615], "weight": 0.00418629}, {"abc": [0.33333333, 0.33333333, 0.15384615], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.23076923], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.0952381, 0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.14285714, -0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.19047619, 0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.23809524, 0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.28571429, -0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.33333333, -0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.38095238, 0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.42857143, 0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.47619048, 0.0, 0.23076923], "weight": 0.00209314}, {"abc": [0.04761905, 0.04761905, 0.23076923], "weight": 0.00209314}, {"abc": [0.0952381, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.14285714, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.19047619, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.23809524, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.28571429, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.33333333, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.38095238, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.42857143, 0.04761905, 0.23076923], "weight": 0.00418629}, {"abc": [0.47619048, 0.04761905, 0.23076923], "weight": 0.00209314}, {"abc": [0.0952381, 0.0952381, 0.23076923], "weight": 0.00209314}, {"abc": [0.14285714, 0.0952381, 0.23076923], "weight": 0.00418629}, {"abc": [0.19047619, 0.0952381, 0.23076923], "weight": 0.00418629}, {"abc": [0.23809524, 0.0952381, 0.23076923], "weight": 0.00418629}, {"abc": [0.28571429, 0.0952381, 0.23076923], "weight": 0.00418629}, {"abc": [0.33333333, 0.0952381, 0.23076923], "weight": 0.00418629}, {"abc": [0.38095238, 0.0952381, 0.23076923], "weight": 0.00418629}, {"abc": [0.42857143, 0.0952381, 0.23076923], "weight": 0.00418629}, {"abc": [0.14285714, 0.14285714, 0.23076923], "weight": 0.00209314}, {"abc": [0.19047619, 0.14285714, 0.23076923], "weight": 0.00418629}, {"abc": [0.23809524, 0.14285714, 0.23076923], "weight": 0.00418629}, {"abc": [0.28571429, 0.14285714, 0.23076923], "weight": 0.00418629}, {"abc": [0.33333333, 0.14285714, 0.23076923], "weight": 0.00418629}, {"abc": [0.38095238, 0.14285714, 0.23076923], "weight": 0.00418629}, {"abc": [0.42857143, 0.14285714, 0.23076923], "weight": 0.00209314}, {"abc": [0.19047619, 0.19047619, 0.23076923], "weight": 0.00209314}, {"abc": [0.23809524, 0.19047619, 0.23076923], "weight": 0.00418629}, {"abc": [0.28571429, 0.19047619, 0.23076923], "weight": 0.00418629}, {"abc": [0.33333333, 0.19047619, 0.23076923], "weight": 0.00418629}, {"abc": [0.38095238, 0.19047619, 0.23076923], "weight": 0.00418629}, {"abc": [0.23809524, 0.23809524, 0.23076923], "weight": 0.00209314}, {"abc": [0.28571429, 0.23809524, 0.23076923], "weight": 0.00418629}, {"abc": [0.33333333, 0.23809524, 0.23076923], "weight": 0.00418629}, {"abc": [0.38095238, 0.23809524, 0.23076923], "weight": 0.00209314}, {"abc": [0.28571429, 0.28571429, 0.23076923], "weight": 0.00209314}, {"abc": [0.33333333, 0.28571429, 0.23076923], "weight": 0.00418629}, {"abc": [0.33333333, 0.33333333, 0.23076923], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.30769231], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.0952381, 0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.14285714, -0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.19047619, 0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.23809524, 0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.28571429, -0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.33333333, -0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.38095238, 0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.42857143, 0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.47619048, 0.0, 0.30769231], "weight": 0.00209314}, {"abc": [0.04761905, 0.04761905, 0.30769231], "weight": 0.00209314}, {"abc": [0.0952381, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.14285714, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.19047619, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.23809524, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.28571429, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.33333333, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.38095238, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.42857143, 0.04761905, 0.30769231], "weight": 0.00418629}, {"abc": [0.47619048, 0.04761905, 0.30769231], "weight": 0.00209314}, {"abc": [0.0952381, 0.0952381, 0.30769231], "weight": 0.00209314}, {"abc": [0.14285714, 0.0952381, 0.30769231], "weight": 0.00418629}, {"abc": [0.19047619, 0.0952381, 0.30769231], "weight": 0.00418629}, {"abc": [0.23809524, 0.0952381, 0.30769231], "weight": 0.00418629}, {"abc": [0.28571429, 0.0952381, 0.30769231], "weight": 0.00418629}, {"abc": [0.33333333, 0.0952381, 0.30769231], "weight": 0.00418629}, {"abc": [0.38095238, 0.0952381, 0.30769231], "weight": 0.00418629}, {"abc": [0.42857143, 0.0952381, 0.30769231], "weight": 0.00418629}, {"abc": [0.14285714, 0.14285714, 0.30769231], "weight": 0.00209314}, {"abc": [0.19047619, 0.14285714, 0.30769231], "weight": 0.00418629}, {"abc": [0.23809524, 0.14285714, 0.30769231], "weight": 0.00418629}, {"abc": [0.28571429, 0.14285714, 0.30769231], "weight": 0.00418629}, {"abc": [0.33333333, 0.14285714, 0.30769231], "weight": 0.00418629}, {"abc": [0.38095238, 0.14285714, 0.30769231], "weight": 0.00418629}, {"abc": [0.42857143, 0.14285714, 0.30769231], "weight": 0.00209314}, {"abc": [0.19047619, 0.19047619, 0.30769231], "weight": 0.00209314}, {"abc": [0.23809524, 0.19047619, 0.30769231], "weight": 0.00418629}, {"abc": [0.28571429, 0.19047619, 0.30769231], "weight": 0.00418629}, {"abc": [0.33333333, 0.19047619, 0.30769231], "weight": 0.00418629}, {"abc": [0.38095238, 0.19047619, 0.30769231], "weight": 0.00418629}, {"abc": [0.23809524, 0.23809524, 0.30769231], "weight": 0.00209314}, {"abc": [0.28571429, 0.23809524, 0.30769231], "weight": 0.00418629}, {"abc": [0.33333333, 0.23809524, 0.30769231], "weight": 0.00418629}, {"abc": [0.38095238, 0.23809524, 0.30769231], "weight": 0.00209314}, {"abc": [0.28571429, 0.28571429, 0.30769231], "weight": 0.00209314}, {"abc": [0.33333333, 0.28571429, 0.30769231], "weight": 0.00418629}, {"abc": [0.33333333, 0.33333333, 0.30769231], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.38461538], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.0952381, 0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.14285714, -0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.19047619, 0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.23809524, 0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.28571429, -0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.33333333, -0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.38095238, 0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.42857143, 0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.47619048, 0.0, 0.38461538], "weight": 0.00209314}, {"abc": [0.04761905, 0.04761905, 0.38461538], "weight": 0.00209314}, {"abc": [0.0952381, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.14285714, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.19047619, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.23809524, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.28571429, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.33333333, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.38095238, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.42857143, 0.04761905, 0.38461538], "weight": 0.00418629}, {"abc": [0.47619048, 0.04761905, 0.38461538], "weight": 0.00209314}, {"abc": [0.0952381, 0.0952381, 0.38461538], "weight": 0.00209314}, {"abc": [0.14285714, 0.0952381, 0.38461538], "weight": 0.00418629}, {"abc": [0.19047619, 0.0952381, 0.38461538], "weight": 0.00418629}, {"abc": [0.23809524, 0.0952381, 0.38461538], "weight": 0.00418629}, {"abc": [0.28571429, 0.0952381, 0.38461538], "weight": 0.00418629}, {"abc": [0.33333333, 0.0952381, 0.38461538], "weight": 0.00418629}, {"abc": [0.38095238, 0.0952381, 0.38461538], "weight": 0.00418629}, {"abc": [0.42857143, 0.0952381, 0.38461538], "weight": 0.00418629}, {"abc": [0.14285714, 0.14285714, 0.38461538], "weight": 0.00209314}, {"abc": [0.19047619, 0.14285714, 0.38461538], "weight": 0.00418629}, {"abc": [0.23809524, 0.14285714, 0.38461538], "weight": 0.00418629}, {"abc": [0.28571429, 0.14285714, 0.38461538], "weight": 0.00418629}, {"abc": [0.33333333, 0.14285714, 0.38461538], "weight": 0.00418629}, {"abc": [0.38095238, 0.14285714, 0.38461538], "weight": 0.00418629}, {"abc": [0.42857143, 0.14285714, 0.38461538], "weight": 0.00209314}, {"abc": [0.19047619, 0.19047619, 0.38461538], "weight": 0.00209314}, {"abc": [0.23809524, 0.19047619, 0.38461538], "weight": 0.00418629}, {"abc": [0.28571429, 0.19047619, 0.38461538], "weight": 0.00418629}, {"abc": [0.33333333, 0.19047619, 0.38461538], "weight": 0.00418629}, {"abc": [0.38095238, 0.19047619, 0.38461538], "weight": 0.00418629}, {"abc": [0.23809524, 0.23809524, 0.38461538], "weight": 0.00209314}, {"abc": [0.28571429, 0.23809524, 0.38461538], "weight": 0.00418629}, {"abc": [0.33333333, 0.23809524, 0.38461538], "weight": 0.00418629}, {"abc": [0.38095238, 0.23809524, 0.38461538], "weight": 0.00209314}, {"abc": [0.28571429, 0.28571429, 0.38461538], "weight": 0.00209314}, {"abc": [0.33333333, 0.28571429, 0.38461538], "weight": 0.00418629}, {"abc": [0.33333333, 0.33333333, 0.38461538], "weight": 0.00069771}, {"abc": [0.0, 0.0, 0.46153846], "weight": 0.00034886}, {"abc": [0.04761905, 0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.0952381, 0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.14285714, -0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.19047619, 0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.23809524, 0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.28571429, -0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.33333333, -0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.38095238, 0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.42857143, 0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.47619048, 0.0, 0.46153846], "weight": 0.00209314}, {"abc": [0.04761905, 0.04761905, 0.46153846], "weight": 0.00209314}, {"abc": [0.0952381, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.14285714, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.19047619, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.23809524, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.28571429, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.33333333, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.38095238, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.42857143, 0.04761905, 0.46153846], "weight": 0.00418629}, {"abc": [0.47619048, 0.04761905, 0.46153846], "weight": 0.00209314}, {"abc": [0.0952381, 0.0952381, 0.46153846], "weight": 0.00209314}, {"abc": [0.14285714, 0.0952381, 0.46153846], "weight": 0.00418629}, {"abc": [0.19047619, 0.0952381, 0.46153846], "weight": 0.00418629}, {"abc": [0.23809524, 0.0952381, 0.46153846], "weight": 0.00418629}, {"abc": [0.28571429, 0.0952381, 0.46153846], "weight": 0.00418629}, {"abc": [0.33333333, 0.0952381, 0.46153846], "weight": 0.00418629}, {"abc": [0.38095238, 0.0952381, 0.46153846], "weight": 0.00418629}, {"abc": [0.42857143, 0.0952381, 0.46153846], "weight": 0.00418629}, {"abc": [0.14285714, 0.14285714, 0.46153846], "weight": 0.00209314}, {"abc": [0.19047619, 0.14285714, 0.46153846], "weight": 0.00418629}, {"abc": [0.23809524, 0.14285714, 0.46153846], "weight": 0.00418629}, {"abc": [0.28571429, 0.14285714, 0.46153846], "weight": 0.00418629}, {"abc": [0.33333333, 0.14285714, 0.46153846], "weight": 0.00418629}, {"abc": [0.38095238, 0.14285714, 0.46153846], "weight": 0.00418629}, {"abc": [0.42857143, 0.14285714, 0.46153846], "weight": 0.00209314}, {"abc": [0.19047619, 0.19047619, 0.46153846], "weight": 0.00209314}, {"abc": [0.23809524, 0.19047619, 0.46153846], "weight": 0.00418629}, {"abc": [0.28571429, 0.19047619, 0.46153846], "weight": 0.00418629}, {"abc": [0.33333333, 0.19047619, 0.46153846], "weight": 0.00418629}, {"abc": [0.38095238, 0.19047619, 0.46153846], "weight": 0.00418629}, {"abc": [0.23809524, 0.23809524, 0.46153846], "weight": 0.00209314}, {"abc": [0.28571429, 0.23809524, 0.46153846], "weight": 0.00418629}, {"abc": [0.33333333, 0.23809524, 0.46153846], "weight": 0.00418629}, {"abc": [0.38095238, 0.23809524, 0.46153846], "weight": 0.00209314}, {"abc": [0.28571429, 0.28571429, 0.46153846], "weight": 0.00209314}, {"abc": [0.33333333, 0.28571429, 0.46153846], "weight": 0.00418629}, {"abc": [0.33333333, 0.33333333, 0.46153846], "weight": 0.00069771}]}, "potcar": ["Fe_pv"], "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "RubyVaspy :: Fe", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 2e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 24, "NELECT": 28.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0, 5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 2e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.1586391, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[2.544483742665877, -1.4690588590964597, 0.0], [2.544483742665877, 1.4690588590964597, 0.0], [0.0, 0.0, 1.6162451401355071]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.234668, -2.138507, 0.0], [1.234668, 2.138507, 0.0], [0.0, 0.0, 3.88752]], "a": 2.469335388170874, "b": 2.469335388170874, "c": 3.88752, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998360761724, "volume": 20.52879701310233}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.75], "xyz": [1.234668, 0.7128370923380002, 2.91564], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.25], "xyz": [1.234668, -0.7128370923380002, 0.97188], "label": "Fe"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -16.74434204, "e_wo_entrp": -16.74418867, "e_0_energy": -0.00046009, "forces": [[0.0, 0.0, -0.0], [-0.0, -0.0, -0.0]], "stress": [[-13.19828829, 0.0, 0.0], [0.0, -13.19827957, 0.0], [0.0, -0.0, 6.65319286]], "electronic_steps": [{"alphaZ": 382.75253221, "ewald": -3750.05892218, "hartreedc": -78.54500719, "XCdc": 99.51563951, "pawpsdc": 1893.80721298, "pawaedc": -1944.27757126, "eentropy": -0.00018871, "bandstr": -2416.34705364, "atom": 4913.78244629, "e_fr_energy": -899.37091198, "e_wo_entrp": -899.37072328, "e_0_energy": -899.37084908}, {"e_fr_energy": -1110.41600119, "e_wo_entrp": -1110.43462289, "e_0_energy": -1110.42220842}, {"e_fr_energy": -1120.39186307, "e_wo_entrp": -1120.15529974, "e_0_energy": -1120.31300862}, {"e_fr_energy": -1120.72253005, "e_wo_entrp": -1120.48383214, "e_0_energy": -1120.64296408}, {"e_fr_energy": -1120.73636495, "e_wo_entrp": -1120.49763727, "e_0_energy": -1120.65678905}, {"e_fr_energy": -215.18024685, "e_wo_entrp": -215.13391107, "e_0_energy": -215.16480159}, {"e_fr_energy": -220.78458238, "e_wo_entrp": -220.78454974, "e_0_energy": -220.7845715}, {"e_fr_energy": -16.95508478, "e_wo_entrp": -16.95578927, "e_0_energy": -16.95531961}, {"e_fr_energy": -19.16328215, "e_wo_entrp": -19.16485186, "e_0_energy": -19.16380539}, {"e_fr_energy": -42.71947168, "e_wo_entrp": -42.72214625, "e_0_energy": -42.72036321}, {"e_fr_energy": -17.210561, "e_wo_entrp": -17.21368609, "e_0_energy": -17.21160269}, {"e_fr_energy": -16.73367572, "e_wo_entrp": -16.73562167, "e_0_energy": -16.73432437}, {"e_fr_energy": -16.74264765, "e_wo_entrp": -16.74357646, "e_0_energy": -16.74295725}, {"e_fr_energy": -16.74333955, "e_wo_entrp": -16.74342429, "e_0_energy": -16.74336779}, {"e_fr_energy": -16.74392916, "e_wo_entrp": -16.74371347, "e_0_energy": -16.74385726}, {"e_fr_energy": -16.74429878, "e_wo_entrp": -16.74391268, "e_0_energy": -16.74417008}, {"e_fr_energy": -16.7443731, "e_wo_entrp": -16.74390971, "e_0_energy": -16.74421864}, {"e_fr_energy": -16.744341, "e_wo_entrp": -16.74388242, "e_0_energy": -16.74418814}, {"alphaZ": 382.75253221, "ewald": -3750.05892218, "hartreedc": -1019.82673366, "XCdc": 140.26860685, "pawpsdc": 3788.17089113, "pawaedc": -3968.73996389, "eentropy": -0.00046009, "bandstr": -503.0927387, "atom": 4913.78244629, "e_fr_energy": -16.74434204, "e_wo_entrp": -16.74388194, "e_0_energy": -16.74418867}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.234668, -2.138507, 0.0], [1.234668, 2.138507, 0.0], [0.0, 0.0, 3.88752]], "a": 2.469335388170874, "b": 2.469335388170874, "c": 3.88752, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998360761724, "volume": 20.52879701310233}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.75], "xyz": [1.234668, 0.7128370923380002, 2.91564], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.25], "xyz": [1.234668, -0.7128370923380002, 0.97188], "label": "Fe"}]}}], "efermi": 6.24730836, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.234668, -2.138507, 0.0], [1.234668, 2.138507, 0.0], [0.0, 0.0, 3.88752]], "a": 2.469335388170874, "b": 2.469335388170874, "c": 3.88752, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998360761724, "volume": 20.52879701310233}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.75], "xyz": [1.234668, 0.7128370923380002, 2.91564], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.25], "xyz": [1.234668, -0.7128370923380002, 0.97188], "label": "Fe"}]}, "energy": -16.74418867, "energy_per_atom": -8.372094335, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 6.2473, "magnetization": [{"s": -0.0, "p": -0.0, "d": 0.002, "tot": 0.001}, {"s": -0.0, "p": -0.0, "d": 0.002, "tot": 0.001}], "charge": [{"s": 0.423, "p": 6.457, "d": 6.119, "tot": 12.999}, {"s": 0.423, "p": 6.457, "d": 6.119, "tot": 12.999}], "total_magnetization": 0.0040907, "nelect": 27.9999973, "is_stopped": false}}, "formula_pretty": "Fe", "composition_reduced": {"Fe": 1.0}, "composition_unit_cell": {"Fe": 2.0}, "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "dir_name": "/project/projectdirs/matgen/garden/dev/block_2015-11-23-21-04-07-097168/launcher_2015-11-23-21-31-55-397534", "completed_at": "2015-11-24 09:08:34.715580", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59950698d1b6dd211ca66812"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59950698d1b6dd211ca66815"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 64952.0, "Elapsed time (sec)": 449.661, "System time (sec)": 24.461, "User time (sec)": 199.409, "Total CPU time used (sec)": 223.87, "cores": "32"}, "overall": {"Total CPU time used (sec)": 223.87, "User time (sec)": 199.409, "System time (sec)": 24.461, "Elapsed time (sec)": 449.661}}, "chemsys": "Fe", "formula_anonymous": "A", "formula_reduced_abc": "Fe1", "completed_at": "2015-11-24 09:08:34.715580", "nsites": 2, "composition_unit_cell": {"Fe": 2.0}, "composition_reduced": {"Fe": 1.0}, "formula_pretty": "Fe", "elements": ["Fe"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.234668, -2.138507, 0.0], [1.234668, 2.138507, 0.0], [0.0, 0.0, 3.88752]], "a": 2.469335388170874, "b": 2.469335388170874, "c": 3.88752, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998360761724, "volume": 20.52879701310233}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.75], "xyz": [1.234668, 0.7128370923380002, 2.91564], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.25], "xyz": [1.234668, -0.7128370923380002, 0.97188], "label": "Fe"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Fe_pv 06Sep2000", "hash": "5963411539032ec3298fa675a32c5e64"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Fe_pv"]}, "parameters": {"SYSTEM": "RubyVaspy :: Fe", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 578.342, "EDIFF": 2e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 24, "NELECT": 28.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 0, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0, 5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": -5, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 18, "NGY": 18, "NGZ": 30, "NGXF": 36, "NGYF": 36, "NGZF": 60, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 2e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [55.847], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 6.1586391, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "RubyVaspy :: Fe", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 2e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0, 5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[1.234668, -2.138507, 0.0], [1.234668, 2.138507, 0.0], [0.0, 0.0, 3.88752]], "a": 2.469335388170874, "b": 2.469335388170874, "c": 3.88752, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998360761724, "volume": 20.52879701310233}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.75], "xyz": [1.234668, 0.7128370923380001, 2.91564], "label": "Fe", "properties": {"magmom": 0.001}}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.25], "xyz": [1.234668, -0.7128370923380002, 0.97188], "label": "Fe", "properties": {"magmom": 0.001}}]}, "density": 9.03441177090056, "energy": -16.74418867, "energy_per_atom": -8.372094335, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "P6_3/mmc", "number": 194, "point_group": "6/mmm", "crystal_system": "hexagonal", "hall": "-P 6c 2c"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2015-11-24 09:08:34"}, "transformations": {}, "custodian": [{"corrections": [], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "LDAUPRINT": 1, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11", "ICHARG": 1}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": {"symbol": "Ru_pv", "hash": "7925f4d4b68076d70af7cd86eef9ba8d"}, "Re": {"symbol": "Re", "hash": "72385e193c92a8acfe17ea49004c2be1"}, "Rb": {"symbol": "Rb_pv", "hash": "e447c648d870b066b3514e6b800727ab"}, "Rh": {"symbol": "Rh", "hash": "2c3dba3fcc6058ca1b1cfa75e45084bc"}, "Be": {"symbol": "Be", "hash": "fb974e44d56a8c62c6bbd1a1eb70c3a7"}, "Ba": {"symbol": "Ba_sv", "hash": "c0477913afb63dfae3439f3534fbf0ed"}, "Bi": {"symbol": "Bi", "hash": "e29661c79d59abae3b3ba69eae24b1a5"}, "Br": {"symbol": "Br", "hash": "40f9594b4506684a69158c8975cfb9d6"}, "H": {"symbol": "H", "hash": "bb43c666e3d36577264afe07669e9582"}, "P": {"symbol": "P", "hash": "7dc3393307131ae67785a0cdacb61d5f"}, "Os": {"symbol": "Os", "hash": "35c2cb48d48a9c38c40fb82bbe70626d"}, "Ge": {"symbol": "Ge", "hash": "79e788788c31e196a460553010512d3f"}, "Gd": {"symbol": "Gd", "hash": "1f0d42b1e5f6769d319d3f247992aeb9"}, "Ga": {"symbol": "Ga", "hash": "6e0b9d58412b1bfcd7252aff13d476c2"}, "Pr": {"symbol": "Pr", "hash": "92f191499bf5346ea652bb806350ad87"}, "Pt": {"symbol": "Pt", "hash": "a604ea3c6a9cc23c739b762f625cf449"}, "Pu": {"symbol": "Pu", "hash": "f1d01e845dccc52d448679911f301a73"}, "C": {"symbol": "C", "hash": "c0a8167dbb174fe492a3db7f5006c0f8"}, "Pb": {"symbol": "Pb", "hash": "704c2c967247d7f84090d2536c91877d"}, "Pa": {"symbol": "Pa", "hash": "a1fdb1089d0727f415416ec8082246ba"}, "Pd": {"symbol": "Pd", "hash": "a395eb3aaf2fcab12fac3030a1146f61"}, "Cd": {"symbol": "Cd", "hash": "0506b2d0ac28d5fe2b5ced77a701aa86"}, "Pm": {"symbol": "Pm", "hash": "a2c9485ea86b2a7cf175077e6e5c7b3e"}, "Ho": {"symbol": "Ho_3", "hash": "661891464a27e87cf7e1324dd1893b77"}, "Hf": {"symbol": "Hf", "hash": "b113f150cbf9c736f8244a6c25b0482e"}, "Hg": {"symbol": "Hg", "hash": "c2f15dfb5fd53396c5427635e5019160"}, "He": {"symbol": "He", "hash": "47f9434aa3db96c85d7c4b3e4c2df09b"}, "Mg": {"symbol": "Mg", "hash": "1771eb72adbbfa6310d66e7517e49930"}, "K": {"symbol": "K_sv", "hash": "3e84f86d37f203a4fb01de36af57e430"}, "Mn": {"symbol": "Mn", "hash": "d082dba29b57ab59b3165e605dbf71b8"}, "O": {"symbol": "O", "hash": "7a25bc5b9a5393f46600a4939d357982"}, "S": {"symbol": "S", "hash": "d368db6899d8839859bbee4811a42a88"}, "W": {"symbol": "W_pv", "hash": "2a33e0d5c700640535f60ac0a12177ab"}, "Zn": {"symbol": "Zn", "hash": "e35ee27f8483a63bb68dbc236a343af3"}, "Eu": {"symbol": "Eu", "hash": "d466d046adf21f6146ee9644049ea268"}, "Zr": {"symbol": "Zr", "hash": "d221d2c0bac4f8e81af2f5c42a314274"}, "Er": {"symbol": "Er_3", "hash": "daa65a04877317f8c3c593ddeaa8a132"}, "Ni": {"symbol": "Ni", "hash": "653f5772e68b2c7fd87ffd1086c0d710"}, "Na": {"symbol": "Na", "hash": "1a89e79f7e21d99e8cf5788979f6a987"}, "Nb": {"symbol": "Nb_pv", "hash": "7bcee99a4dc3094be0f9fd7961c02966"}, "Nd": {"symbol": "Nd", "hash": "0c64e63070cee837c967283fffa001df"}, "Ne": {"symbol": "Ne", "hash": "52064eee378b9e37a295a674f1c278f0"}, "Np": {"symbol": "Np", "hash": "20cb30b714200c4db870550b288ac4cd"}, "Fe": {"symbol": "Fe", "hash": "9530da8244e4dac17580869b4adab115"}, "B": {"symbol": "B", "hash": "18ed2875dfa6305324cec3d7d59273ae"}, "F": {"symbol": "F", "hash": "180141c33d032bfbfff30b3bea9d23dd"}, "Sr": {"symbol": "Sr_sv", "hash": "ca6a5429c120a0ab705824386a76fe5b"}, "N": {"symbol": "N", "hash": "b98fd027ddebc67da4063ff2cabbc04b"}, "Kr": {"symbol": "Kr", "hash": "39b9b85ae3982e6c012fb549b2840ce5"}, "Si": {"symbol": "Si", "hash": "b2b0ea6feb62e7cde209616683b8f7f5"}, "Sn": {"symbol": "Sn_d", "hash": "849b0795e148f93113a06be8fd5f5001"}, "Sm": {"symbol": "Sm_3", "hash": "e5e274e7cd99602ca81d146155abdf88"}, "V": {"symbol": "V_pv", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}, "Sc": {"symbol": "Sc_sv", "hash": "dc386f505ad0c43385a7715b4111cb75"}, "Sb": {"symbol": "Sb", "hash": "d82c022b02fc5344e85bd1909f9ee3e7"}, "Se": {"symbol": "Se", "hash": "67a8804ede9f1112726e3d136978ef19"}, "Co": {"symbol": "Co", "hash": "b169bca4e137294d2ab3df8cbdd09083"}, "Cl": {"symbol": "Cl", "hash": "779b9901046c78fe51c5d80224642aeb"}, "Ca": {"symbol": "Ca_sv", "hash": "eb006721e214c04b3c13146e81b3a27d"}, "Ce": {"symbol": "Ce", "hash": "ff3a09f2ff91798e58eb4b9854e9be4a"}, "Xe": {"symbol": "Xe", "hash": "338472e581f58b41d37c002a5e22353b"}, "Tm": {"symbol": "Tm_3", "hash": "94a07cb7949b01305cb161da0cbfb492"}, "Cs": {"symbol": "Cs_sv", "hash": "096b53a7d80cc0086976bcda50d536e5"}, "Cr": {"symbol": "Cr", "hash": "82c14307937c7509fda4e9bc023d243d"}, "Cu": {"symbol": "Cu", "hash": "8ca4e43a30de0c397e51f16bbb20d678"}, "La": {"symbol": "La", "hash": "9b3ce03d18f7c0b40471a817ff91b287"}, "Li": {"symbol": "Li", "hash": "65e83282d1707ec078c1012afbd05be8"}, "Tl": {"symbol": "Tl", "hash": "2aa0d5406aaab7ebfbc761da382f1352"}, "Lu": {"symbol": "Lu_3", "hash": "d40a90babf1224b88ffb4c3273ac3848"}, "Th": {"symbol": "Th", "hash": "aea79f322180fa6f0bfa74cb2a156dcf"}, "Ti": {"symbol": "Ti", "hash": "c617e8b539c3f44a0ab6e8da2a92d318"}, "Te": {"symbol": "Te", "hash": "72719856e22fb1d3032df6f96d98a0f2"}, "Tb": {"symbol": "Tb_3", "hash": "0790955c547003956c0fd4f080f7f508"}, "Tc": {"symbol": "Tc", "hash": "9592642886319309a39d55c5717c6f48"}, "Ta": {"symbol": "Ta", "hash": "d4e2cfe9338ef80da592d5bb9dc782c7"}, "Yb": {"symbol": "Yb", "hash": "9f472bd422f640710f7d93e2d9ce89f4"}, "Dy": {"symbol": "Dy_3", "hash": "d4a05220ab0a2d4c03a76872ea724a1e"}, "I": {"symbol": "I", "hash": "f4ff16a495dd361ff5824ee61b418bb0"}, "U": {"symbol": "U", "hash": "72702eabbb1bc02b4167590dc848ed5d"}, "Y": {"symbol": "Y_sv", "hash": "4ed187e77cd54f198bb88020278b143d"}, "Ac": {"symbol": "Ac", "hash": "d6854224d20e3de6e6fd7399503791d1"}, "Ag": {"symbol": "Ag", "hash": "e8ffa02fe3f3a51338ac1ac91ae968b9"}, "Ir": {"symbol": "Ir", "hash": "dbcf7dcc6f4fb40df7b3d26904f60a66"}, "Al": {"symbol": "Al", "hash": "a6fd9a46aec185f4ad2acd0cbe4ae2fa"}, "As": {"symbol": "As", "hash": "8005364db225a254e52cba350bedd032"}, "Ar": {"symbol": "Ar", "hash": "e782fc6292623b396091bf8b871c272f"}, "Au": {"symbol": "Au", "hash": "a9182d436a13194b744640ac940ab9b0"}, "In": {"symbol": "In", "hash": "7df38c0cdb4e6d9a9b93f09d690bb3ae"}, "Mo": {"symbol": "Mo_pv", "hash": "84e18fd84a98e3d7fa8f055952410df0"}}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vasp.sets"}, "gamma_vasp_cmd": ["srun", "-n", "32", "gvasp"], "vasp_cmd": ["srun", "-n", "32", "vasp"], "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[1.234668, -2.138507, 0.0], [1.234668, 2.138507, 0.0], [0.0, 0.0, 3.88752]], "a": 2.469335388170874, "b": 2.469335388170874, "c": 3.88752, "alpha": 90.0, "beta": 90.0, "gamma": 119.99998360761724, "volume": 20.52879701310233}, "sites": [{"species": [{"element": "Fe", "occu": 1}], "abc": [0.333333, 0.666667, 0.75], "xyz": [1.234668, 0.7128370923380002, 2.91564], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1}], "abc": [0.666667, 0.333333, 0.25], "xyz": [1.234668, -0.7128370923380002, 0.97188], "label": "Fe"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Fe2"}, "incar": {"ALGO": "Normal", "EDIFF": 2e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5, 5], "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: fe", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Fe_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 13]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-987272", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc77bb42e927b78dbe2b27b"}, "dir_name": "mc0601.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-01-27-19-59-27-738133", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "RubyVaspy :: Li", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "AUTO", "ISMEAR": -5, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 21]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.04761905], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00010798}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00129576}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.0952381, 0.04761905, -0.0], "weight": 0.00518303}, {"abc": [0.14285714, 0.04761905, -0.0], "weight": 0.00518303}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00518303}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00518303}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00518303}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00518303}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00518303}, {"abc": [0.42857143, 0.04761905, -0.0], "weight": 0.00518303}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00518303}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00518303}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00518303}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00518303}, {"abc": [0.33333333, 0.0952381, -0.0], "weight": 0.00518303}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00518303}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00518303}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00518303}, {"abc": [0.23809524, 0.14285714, -0.0], "weight": 0.00518303}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00518303}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00518303}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00518303}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00518303}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00518303}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00518303}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00518303}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00518303}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00518303}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00518303}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00086384}, {"abc": [0.04761905, 0.04761905, 0.04761905], "weight": 0.00086384}, {"abc": [0.0952381, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [0.14285714, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [0.19047619, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [0.23809524, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [0.28571429, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [0.33333333, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [0.38095238, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [0.42857143, 0.04761905, 0.04761905], "weight": 0.00259151}, {"abc": [-0.04761905, 0.04761905, 0.04761905], "weight": 0.00064788}, {"abc": [0.0952381, 0.0952381, 0.04761905], "weight": 0.00259151}, {"abc": [0.14285714, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.19047619, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.23809524, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.28571429, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.33333333, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.38095238, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.42857143, 0.0952381, 0.04761905], "weight": 0.00259151}, {"abc": [-0.0952381, 0.0952381, 0.04761905], "weight": 0.00259151}, {"abc": [0.14285714, 0.14285714, 0.04761905], "weight": 0.00259151}, {"abc": [0.19047619, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.23809524, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.28571429, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.33333333, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.38095238, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.14285714, 0.14285714, 0.04761905], "weight": 0.00259151}, {"abc": [-0.0952381, 0.14285714, 0.04761905], "weight": 0.00259151}, {"abc": [0.19047619, 0.19047619, 0.04761905], "weight": 0.00259151}, {"abc": [0.23809524, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.28571429, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.33333333, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.38095238, 0.19047619, 0.04761905], "weight": 0.00259151}, {"abc": [-0.19047619, 0.19047619, 0.04761905], "weight": 0.00259151}, {"abc": [-0.14285714, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.23809524, 0.23809524, 0.04761905], "weight": 0.00259151}, {"abc": [0.28571429, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [0.33333333, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.23809524, 0.04761905], "weight": 0.00259151}, {"abc": [-0.19047619, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.14285714, 0.23809524, 0.04761905], "weight": 0.00259151}, {"abc": [0.28571429, 0.28571429, 0.04761905], "weight": 0.00259151}, {"abc": [0.33333333, 0.28571429, 0.04761905], "weight": 0.00259151}, {"abc": [-0.28571429, 0.28571429, 0.04761905], "weight": 0.00259151}, {"abc": [-0.23809524, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.19047619, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.33333333, 0.04761905], "weight": 0.00259151}, {"abc": [-0.28571429, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [-0.19047619, 0.33333333, 0.04761905], "weight": 0.00259151}, {"abc": [-0.38095238, 0.38095238, 0.04761905], "weight": 0.00259151}, {"abc": [-0.33333333, 0.38095238, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.38095238, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.38095238, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.42857143, 0.04761905], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.42857143, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.42857143, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.42857143, 0.04761905], "weight": 0.00259151}, {"abc": [-0.47619048, 0.47619048, 0.04761905], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.47619048, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.47619048, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.47619048, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, -0.47619048, 0.04761905], "weight": 0.00259151}, {"abc": [-0.42857143, -0.47619048, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, -0.47619048, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, -0.47619048, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, -0.47619048, 0.04761905], "weight": 0.00259151}, {"abc": [-0.42857143, -0.42857143, 0.04761905], "weight": 0.00259151}, {"abc": [-0.38095238, -0.42857143, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, -0.42857143, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, -0.38095238, 0.04761905], "weight": 0.00259151}, {"abc": [-0.33333333, -0.38095238, 0.04761905], "weight": 0.00259151}, {"abc": [0.0952381, 0.0952381, 0.0952381], "weight": 0.00086384}, {"abc": [0.14285714, 0.0952381, 0.0952381], "weight": 0.00259151}, {"abc": [0.19047619, 0.0952381, 0.0952381], "weight": 0.00259151}, {"abc": [0.23809524, 0.0952381, 0.0952381], "weight": 0.00259151}, {"abc": [0.28571429, 0.0952381, 0.0952381], "weight": 0.00259151}, {"abc": [0.33333333, 0.0952381, 0.0952381], "weight": 0.00259151}, {"abc": [0.38095238, 0.0952381, 0.0952381], "weight": 0.00259151}, {"abc": [-0.0952381, 0.0952381, 0.0952381], "weight": 0.00064788}, {"abc": [0.14285714, 0.14285714, 0.0952381], "weight": 0.00259151}, {"abc": [0.19047619, 0.14285714, 0.0952381], "weight": 0.00518303}, {"abc": [0.23809524, 0.14285714, 0.0952381], "weight": 0.00518303}, {"abc": [0.28571429, 0.14285714, 0.0952381], "weight": 0.00518303}, {"abc": [0.33333333, 0.14285714, 0.0952381], "weight": 0.00518303}, {"abc": [0.38095238, 0.14285714, 0.0952381], "weight": 0.00259151}, {"abc": [-0.14285714, 0.14285714, 0.0952381], "weight": 0.00259151}, {"abc": [0.19047619, 0.19047619, 0.0952381], "weight": 0.00259151}, {"abc": [0.23809524, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [0.28571429, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [0.33333333, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [-0.19047619, 0.19047619, 0.0952381], "weight": 0.00259151}, {"abc": [-0.14285714, 0.19047619, 0.0952381], "weight": 0.00259151}, {"abc": [0.23809524, 0.23809524, 0.0952381], "weight": 0.00259151}, {"abc": [0.28571429, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [0.33333333, 0.23809524, 0.0952381], "weight": 0.00259151}, {"abc": [-0.23809524, 0.23809524, 0.0952381], "weight": 0.00259151}, {"abc": [-0.19047619, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [0.28571429, 0.28571429, 0.0952381], "weight": 0.00259151}, {"abc": [-0.28571429, 0.28571429, 0.0952381], "weight": 0.00259151}, {"abc": [-0.23809524, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.19047619, 0.28571429, 0.0952381], "weight": 0.00259151}, {"abc": [-0.33333333, 0.33333333, 0.0952381], "weight": 0.00259151}, {"abc": [-0.28571429, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.23809524, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, 0.38095238, 0.0952381], "weight": 0.00259151}, {"abc": [-0.33333333, 0.38095238, 0.0952381], "weight": 0.00518303}, {"abc": [-0.28571429, 0.38095238, 0.0952381], "weight": 0.00518303}, {"abc": [-0.23809524, 0.38095238, 0.0952381], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.0952381], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, 0.42857143, 0.0952381], "weight": 0.00518303}, {"abc": [-0.28571429, 0.42857143, 0.0952381], "weight": 0.00518303}, {"abc": [-0.47619048, 0.47619048, 0.0952381], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, 0.47619048, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, 0.47619048, 0.0952381], "weight": 0.00518303}, {"abc": [-0.28571429, 0.47619048, 0.0952381], "weight": 0.00259151}, {"abc": [-0.47619048, -0.47619048, 0.0952381], "weight": 0.00259151}, {"abc": [-0.42857143, -0.47619048, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, -0.47619048, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, -0.47619048, 0.0952381], "weight": 0.00518303}, {"abc": [-0.42857143, -0.42857143, 0.0952381], "weight": 0.00259151}, {"abc": [-0.38095238, -0.42857143, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, -0.42857143, 0.0952381], "weight": 0.00259151}, {"abc": [-0.38095238, -0.38095238, 0.0952381], "weight": 0.00259151}, {"abc": [0.14285714, 0.14285714, 0.14285714], "weight": 0.00086384}, {"abc": [0.19047619, 0.14285714, 0.14285714], "weight": 0.00259151}, {"abc": [0.23809524, 0.14285714, 0.14285714], "weight": 0.00259151}, {"abc": [0.28571429, 0.14285714, 0.14285714], "weight": 0.00259151}, {"abc": [0.33333333, 0.14285714, 0.14285714], "weight": 0.00259151}, {"abc": [-0.14285714, 0.14285714, 0.14285714], "weight": 0.00064788}, {"abc": [0.19047619, 0.19047619, 0.14285714], "weight": 0.00259151}, {"abc": [0.23809524, 0.19047619, 0.14285714], "weight": 0.00518303}, {"abc": [0.28571429, 0.19047619, 0.14285714], "weight": 0.00518303}, {"abc": [0.33333333, 0.19047619, 0.14285714], "weight": 0.00259151}, {"abc": [-0.19047619, 0.19047619, 0.14285714], "weight": 0.00259151}, {"abc": [0.23809524, 0.23809524, 0.14285714], "weight": 0.00259151}, {"abc": [0.28571429, 0.23809524, 0.14285714], "weight": 0.00518303}, {"abc": [-0.23809524, 0.23809524, 0.14285714], "weight": 0.00259151}, {"abc": [-0.19047619, 0.23809524, 0.14285714], "weight": 0.00259151}, {"abc": [0.28571429, 0.28571429, 0.14285714], "weight": 0.00086384}, {"abc": [-0.28571429, 0.28571429, 0.14285714], "weight": 0.00259151}, {"abc": [-0.23809524, 0.28571429, 0.14285714], "weight": 0.00518303}, {"abc": [-0.33333333, 0.33333333, 0.14285714], "weight": 0.00259151}, {"abc": [-0.28571429, 0.33333333, 0.14285714], "weight": 0.00518303}, {"abc": [-0.23809524, 0.33333333, 0.14285714], "weight": 0.00259151}, {"abc": [-0.38095238, 0.38095238, 0.14285714], "weight": 0.00259151}, {"abc": [-0.33333333, 0.38095238, 0.14285714], "weight": 0.00518303}, {"abc": [-0.28571429, 0.38095238, 0.14285714], "weight": 0.00518303}, {"abc": [-0.42857143, 0.42857143, 0.14285714], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.14285714], "weight": 0.00518303}, {"abc": [-0.33333333, 0.42857143, 0.14285714], "weight": 0.00518303}, {"abc": [-0.28571429, 0.42857143, 0.14285714], "weight": 0.00259151}, {"abc": [-0.47619048, 0.47619048, 0.14285714], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.14285714], "weight": 0.00518303}, {"abc": [-0.38095238, 0.47619048, 0.14285714], "weight": 0.00518303}, {"abc": [-0.33333333, 0.47619048, 0.14285714], "weight": 0.00518303}, {"abc": [-0.47619048, -0.47619048, 0.14285714], "weight": 0.00259151}, {"abc": [-0.42857143, -0.47619048, 0.14285714], "weight": 0.00518303}, {"abc": [-0.38095238, -0.47619048, 0.14285714], "weight": 0.00518303}, {"abc": [-0.33333333, -0.47619048, 0.14285714], "weight": 0.00259151}, {"abc": [-0.42857143, -0.42857143, 0.14285714], "weight": 0.00259151}, {"abc": [-0.38095238, -0.42857143, 0.14285714], "weight": 0.00518303}, {"abc": [-0.38095238, -0.38095238, 0.14285714], "weight": 0.00086384}, {"abc": [0.19047619, 0.19047619, 0.19047619], "weight": 0.00086384}, {"abc": [0.23809524, 0.19047619, 0.19047619], "weight": 0.00259151}, {"abc": [0.28571429, 0.19047619, 0.19047619], "weight": 0.00259151}, {"abc": [-0.19047619, 0.19047619, 0.19047619], "weight": 0.00064788}, {"abc": [0.23809524, 0.23809524, 0.19047619], "weight": 0.00259151}, {"abc": [0.28571429, 0.23809524, 0.19047619], "weight": 0.00259151}, {"abc": [-0.23809524, 0.23809524, 0.19047619], "weight": 0.00259151}, {"abc": [-0.28571429, 0.28571429, 0.19047619], "weight": 0.00259151}, {"abc": [-0.23809524, 0.28571429, 0.19047619], "weight": 0.00259151}, {"abc": [-0.33333333, 0.33333333, 0.19047619], "weight": 0.00259151}, {"abc": [-0.28571429, 0.33333333, 0.19047619], "weight": 0.00518303}, {"abc": [-0.38095238, 0.38095238, 0.19047619], "weight": 0.00259151}, {"abc": [-0.33333333, 0.38095238, 0.19047619], "weight": 0.00518303}, {"abc": [-0.28571429, 0.38095238, 0.19047619], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.19047619], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.19047619], "weight": 0.00518303}, {"abc": [-0.33333333, 0.42857143, 0.19047619], "weight": 0.00518303}, {"abc": [-0.47619048, 0.47619048, 0.19047619], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.19047619], "weight": 0.00518303}, {"abc": [-0.38095238, 0.47619048, 0.19047619], "weight": 0.00518303}, {"abc": [-0.33333333, 0.47619048, 0.19047619], "weight": 0.00259151}, {"abc": [-0.47619048, -0.47619048, 0.19047619], "weight": 0.00259151}, {"abc": [-0.42857143, -0.47619048, 0.19047619], "weight": 0.00518303}, {"abc": [-0.38095238, -0.47619048, 0.19047619], "weight": 0.00518303}, {"abc": [-0.42857143, -0.42857143, 0.19047619], "weight": 0.00259151}, {"abc": [-0.38095238, -0.42857143, 0.19047619], "weight": 0.00259151}, {"abc": [0.23809524, 0.23809524, 0.23809524], "weight": 0.00086384}, {"abc": [-0.23809524, 0.23809524, 0.23809524], "weight": 0.00064788}, {"abc": [-0.28571429, 0.28571429, 0.23809524], "weight": 0.00259151}, {"abc": [-0.33333333, 0.33333333, 0.23809524], "weight": 0.00259151}, {"abc": [-0.28571429, 0.33333333, 0.23809524], "weight": 0.00259151}, {"abc": [-0.38095238, 0.38095238, 0.23809524], "weight": 0.00259151}, {"abc": [-0.33333333, 0.38095238, 0.23809524], "weight": 0.00518303}, {"abc": [-0.42857143, 0.42857143, 0.23809524], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.23809524], "weight": 0.00518303}, {"abc": [-0.33333333, 0.42857143, 0.23809524], "weight": 0.00259151}, {"abc": [-0.47619048, 0.47619048, 0.23809524], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.23809524], "weight": 0.00518303}, {"abc": [-0.38095238, 0.47619048, 0.23809524], "weight": 0.00518303}, {"abc": [-0.47619048, -0.47619048, 0.23809524], "weight": 0.00259151}, {"abc": [-0.42857143, -0.47619048, 0.23809524], "weight": 0.00518303}, {"abc": [-0.38095238, -0.47619048, 0.23809524], "weight": 0.00259151}, {"abc": [-0.42857143, -0.42857143, 0.23809524], "weight": 0.00259151}, {"abc": [-0.28571429, 0.28571429, 0.28571429], "weight": 0.00064788}, {"abc": [-0.33333333, 0.33333333, 0.28571429], "weight": 0.00259151}, {"abc": [-0.38095238, 0.38095238, 0.28571429], "weight": 0.00259151}, {"abc": [-0.33333333, 0.38095238, 0.28571429], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.28571429], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.28571429], "weight": 0.00518303}, {"abc": [-0.47619048, 0.47619048, 0.28571429], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.28571429], "weight": 0.00518303}, {"abc": [-0.38095238, 0.47619048, 0.28571429], "weight": 0.00259151}, {"abc": [-0.47619048, -0.47619048, 0.28571429], "weight": 0.00259151}, {"abc": [-0.42857143, -0.47619048, 0.28571429], "weight": 0.00518303}, {"abc": [-0.42857143, -0.42857143, 0.28571429], "weight": 0.00086384}, {"abc": [-0.33333333, 0.33333333, 0.33333333], "weight": 0.00064788}, {"abc": [-0.38095238, 0.38095238, 0.33333333], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.33333333], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.33333333], "weight": 0.00259151}, {"abc": [-0.47619048, 0.47619048, 0.33333333], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.33333333], "weight": 0.00518303}, {"abc": [-0.47619048, -0.47619048, 0.33333333], "weight": 0.00259151}, {"abc": [-0.42857143, -0.47619048, 0.33333333], "weight": 0.00259151}, {"abc": [-0.38095238, 0.38095238, 0.38095238], "weight": 0.00064788}, {"abc": [-0.42857143, 0.42857143, 0.38095238], "weight": 0.00259151}, {"abc": [-0.47619048, 0.47619048, 0.38095238], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.38095238], "weight": 0.00259151}, {"abc": [-0.47619048, -0.47619048, 0.38095238], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.42857143], "weight": 0.00064788}, {"abc": [-0.47619048, 0.47619048, 0.42857143], "weight": 0.00259151}, {"abc": [-0.47619048, -0.47619048, 0.42857143], "weight": 0.00086384}, {"abc": [-0.47619048, 0.47619048, 0.47619048], "weight": 0.00064788}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "RubyVaspy :: Li", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 6, "NELECT": 3.0, "ISMEAR": -5, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 5e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.07242103, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-0.0, 1.8335334141409279, 1.8335334141409279], [1.8335334141409279, 0.0, 1.8335334141409279], [1.8335334141409279, 1.8335334141409279, 0.0]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -1.9035993, "e_wo_entrp": -1.9035993, "e_0_energy": 0.0, "forces": [[-0.0, 0.0, -0.0]], "stress": [[0.35657754, 0.0, 0.0], [0.0, 0.35657754, 0.0], [-0.0, -0.0, 0.35657754]], "electronic_steps": [{"alphaZ": 4.12068283, "ewald": -68.81568908, "hartreedc": -32.49066628, "XCdc": 10.95020524, "pawpsdc": 56.94305672, "pawaedc": -80.65727742, "eentropy": 0.0, "bandstr": -93.29387657, "atom": 202.78382624, "e_fr_energy": -0.45973834, "e_wo_entrp": -0.45973834, "e_0_energy": -0.45973834}, {"e_fr_energy": -1.58946656, "e_wo_entrp": -1.58946656, "e_0_energy": -1.58946656}, {"e_fr_energy": -1.59480466, "e_wo_entrp": -1.59480466, "e_0_energy": -1.59480466}, {"e_fr_energy": -1.59483198, "e_wo_entrp": -1.59483198, "e_0_energy": -1.59483198}, {"e_fr_energy": -1.59483213, "e_wo_entrp": -1.59483213, "e_0_energy": -1.59483213}, {"e_fr_energy": -1.83669098, "e_wo_entrp": -1.83669098, "e_0_energy": -1.83669098}, {"e_fr_energy": -1.9020432, "e_wo_entrp": -1.9020432, "e_0_energy": -1.9020432}, {"e_fr_energy": -1.90306612, "e_wo_entrp": -1.90306612, "e_0_energy": -1.90306612}, {"e_fr_energy": -1.90352575, "e_wo_entrp": -1.90352575, "e_0_energy": -1.90352575}, {"e_fr_energy": -1.90359127, "e_wo_entrp": -1.90359127, "e_0_energy": -1.90359127}, {"e_fr_energy": -1.90359924, "e_wo_entrp": -1.90359924, "e_0_energy": -1.90359924}, {"alphaZ": 4.12068283, "ewald": -68.81568908, "hartreedc": -32.05396674, "XCdc": 10.83981484, "pawpsdc": 60.81951596, "pawaedc": -84.59565039, "eentropy": 0.0, "bandstr": -95.00213295, "atom": 202.78382624, "e_fr_energy": -1.9035993, "e_wo_entrp": -1.9035993, "e_0_energy": -1.9035993}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}}], "efermi": -0.19945977, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "energy": -1.9035993, "energy_per_atom": -1.9035993, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.1995, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.107, "p": 0.107, "d": 0.0, "tot": 2.214}], "total_magnetization": 7.17e-05, "nelect": 3.0, "is_stopped": false}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-01-27-19-59-27-738133", "completed_at": "2016-01-27 12:06:44.434361", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5982f71b6c7a58362035d23b"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5982f71c6c7a58362035d23e"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 54572.0, "Elapsed time (sec)": 68.955, "System time (sec)": 3.811, "User time (sec)": 29.556, "Total CPU time used (sec)": 33.367, "cores": "32"}, "overall": {"Total CPU time used (sec)": 33.367, "User time (sec)": 29.556, "System time (sec)": 3.811, "Elapsed time (sec)": 68.955}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2016-01-27 12:06:44.434361", "nsites": 1, "composition_unit_cell": {"Li": 1.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "RubyVaspy :: Li", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 6, "NELECT": 3.0, "ISMEAR": -5, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 5e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.07242103, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "RubyVaspy :: Li", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "AUTO", "ISMEAR": -5, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5728329778348671, "energy": -1.9035993, "energy_per_atom": -1.9035993, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-01-27 12:06:44"}, "transformations": {}, "custodian": [{"corrections": [{"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["brmix"], "actions": [{"action": {"_set": {"generation_style": "Gamma"}}, "dict": "KPOINTS"}, {"action": {"_set": {"kpoints": [[21, 21, 21]]}}, "dict": "KPOINTS"}]}], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "LDAUPRINT": 1, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11", "ICHARG": 1}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": {"symbol": "Ru_pv", "hash": "7925f4d4b68076d70af7cd86eef9ba8d"}, "Re": {"symbol": "Re", "hash": "72385e193c92a8acfe17ea49004c2be1"}, "Rb": {"symbol": "Rb_pv", "hash": "e447c648d870b066b3514e6b800727ab"}, "Rh": {"symbol": "Rh", "hash": "2c3dba3fcc6058ca1b1cfa75e45084bc"}, "Be": {"symbol": "Be", "hash": "fb974e44d56a8c62c6bbd1a1eb70c3a7"}, "Ba": {"symbol": "Ba_sv", "hash": "c0477913afb63dfae3439f3534fbf0ed"}, "Bi": {"symbol": "Bi", "hash": "e29661c79d59abae3b3ba69eae24b1a5"}, "Br": {"symbol": "Br", "hash": "40f9594b4506684a69158c8975cfb9d6"}, "H": {"symbol": "H", "hash": "bb43c666e3d36577264afe07669e9582"}, "P": {"symbol": "P", "hash": "7dc3393307131ae67785a0cdacb61d5f"}, "Os": {"symbol": "Os", "hash": "35c2cb48d48a9c38c40fb82bbe70626d"}, "Ge": {"symbol": "Ge", "hash": "79e788788c31e196a460553010512d3f"}, "Gd": {"symbol": "Gd", "hash": "1f0d42b1e5f6769d319d3f247992aeb9"}, "Ga": {"symbol": "Ga", "hash": "6e0b9d58412b1bfcd7252aff13d476c2"}, "Pr": {"symbol": "Pr", "hash": "92f191499bf5346ea652bb806350ad87"}, "Pt": {"symbol": "Pt", "hash": "a604ea3c6a9cc23c739b762f625cf449"}, "Pu": {"symbol": "Pu", "hash": "f1d01e845dccc52d448679911f301a73"}, "C": {"symbol": "C", "hash": "c0a8167dbb174fe492a3db7f5006c0f8"}, "Pb": {"symbol": "Pb", "hash": "704c2c967247d7f84090d2536c91877d"}, "Pa": {"symbol": "Pa", "hash": "a1fdb1089d0727f415416ec8082246ba"}, "Pd": {"symbol": "Pd", "hash": "a395eb3aaf2fcab12fac3030a1146f61"}, "Cd": {"symbol": "Cd", "hash": "0506b2d0ac28d5fe2b5ced77a701aa86"}, "Pm": {"symbol": "Pm", "hash": "a2c9485ea86b2a7cf175077e6e5c7b3e"}, "Ho": {"symbol": "Ho_3", "hash": "661891464a27e87cf7e1324dd1893b77"}, "Hf": {"symbol": "Hf", "hash": "b113f150cbf9c736f8244a6c25b0482e"}, "Hg": {"symbol": "Hg", "hash": "c2f15dfb5fd53396c5427635e5019160"}, "He": {"symbol": "He", "hash": "47f9434aa3db96c85d7c4b3e4c2df09b"}, "Mg": {"symbol": "Mg", "hash": "1771eb72adbbfa6310d66e7517e49930"}, "K": {"symbol": "K_sv", "hash": "3e84f86d37f203a4fb01de36af57e430"}, "Mn": {"symbol": "Mn", "hash": "d082dba29b57ab59b3165e605dbf71b8"}, "O": {"symbol": "O", "hash": "7a25bc5b9a5393f46600a4939d357982"}, "S": {"symbol": "S", "hash": "d368db6899d8839859bbee4811a42a88"}, "W": {"symbol": "W_pv", "hash": "2a33e0d5c700640535f60ac0a12177ab"}, "Zn": {"symbol": "Zn", "hash": "e35ee27f8483a63bb68dbc236a343af3"}, "Eu": {"symbol": "Eu", "hash": "d466d046adf21f6146ee9644049ea268"}, "Zr": {"symbol": "Zr", "hash": "d221d2c0bac4f8e81af2f5c42a314274"}, "Er": {"symbol": "Er_3", "hash": "daa65a04877317f8c3c593ddeaa8a132"}, "Ni": {"symbol": "Ni", "hash": "653f5772e68b2c7fd87ffd1086c0d710"}, "Na": {"symbol": "Na", "hash": "1a89e79f7e21d99e8cf5788979f6a987"}, "Nb": {"symbol": "Nb_pv", "hash": "7bcee99a4dc3094be0f9fd7961c02966"}, "Nd": {"symbol": "Nd", "hash": "0c64e63070cee837c967283fffa001df"}, "Ne": {"symbol": "Ne", "hash": "52064eee378b9e37a295a674f1c278f0"}, "Np": {"symbol": "Np", "hash": "20cb30b714200c4db870550b288ac4cd"}, "Fe": {"symbol": "Fe", "hash": "9530da8244e4dac17580869b4adab115"}, "B": {"symbol": "B", "hash": "18ed2875dfa6305324cec3d7d59273ae"}, "F": {"symbol": "F", "hash": "180141c33d032bfbfff30b3bea9d23dd"}, "Sr": {"symbol": "Sr_sv", "hash": "ca6a5429c120a0ab705824386a76fe5b"}, "N": {"symbol": "N", "hash": "b98fd027ddebc67da4063ff2cabbc04b"}, "Kr": {"symbol": "Kr", "hash": "39b9b85ae3982e6c012fb549b2840ce5"}, "Si": {"symbol": "Si", "hash": "b2b0ea6feb62e7cde209616683b8f7f5"}, "Sn": {"symbol": "Sn_d", "hash": "849b0795e148f93113a06be8fd5f5001"}, "Sm": {"symbol": "Sm_3", "hash": "e5e274e7cd99602ca81d146155abdf88"}, "V": {"symbol": "V_pv", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}, "Sc": {"symbol": "Sc_sv", "hash": "dc386f505ad0c43385a7715b4111cb75"}, "Sb": {"symbol": "Sb", "hash": "d82c022b02fc5344e85bd1909f9ee3e7"}, "Se": {"symbol": "Se", "hash": "67a8804ede9f1112726e3d136978ef19"}, "Co": {"symbol": "Co", "hash": "b169bca4e137294d2ab3df8cbdd09083"}, "Cl": {"symbol": "Cl", "hash": "779b9901046c78fe51c5d80224642aeb"}, "Ca": {"symbol": "Ca_sv", "hash": "eb006721e214c04b3c13146e81b3a27d"}, "Ce": {"symbol": "Ce", "hash": "ff3a09f2ff91798e58eb4b9854e9be4a"}, "Xe": {"symbol": "Xe", "hash": "338472e581f58b41d37c002a5e22353b"}, "Tm": {"symbol": "Tm_3", "hash": "94a07cb7949b01305cb161da0cbfb492"}, "Cs": {"symbol": "Cs_sv", "hash": "096b53a7d80cc0086976bcda50d536e5"}, "Cr": {"symbol": "Cr", "hash": "82c14307937c7509fda4e9bc023d243d"}, "Cu": {"symbol": "Cu", "hash": "8ca4e43a30de0c397e51f16bbb20d678"}, "La": {"symbol": "La", "hash": "9b3ce03d18f7c0b40471a817ff91b287"}, "Li": {"symbol": "Li", "hash": "65e83282d1707ec078c1012afbd05be8"}, "Tl": {"symbol": "Tl", "hash": "2aa0d5406aaab7ebfbc761da382f1352"}, "Lu": {"symbol": "Lu_3", "hash": "d40a90babf1224b88ffb4c3273ac3848"}, "Th": {"symbol": "Th", "hash": "aea79f322180fa6f0bfa74cb2a156dcf"}, "Ti": {"symbol": "Ti", "hash": "c617e8b539c3f44a0ab6e8da2a92d318"}, "Te": {"symbol": "Te", "hash": "72719856e22fb1d3032df6f96d98a0f2"}, "Tb": {"symbol": "Tb_3", "hash": "0790955c547003956c0fd4f080f7f508"}, "Tc": {"symbol": "Tc", "hash": "9592642886319309a39d55c5717c6f48"}, "Ta": {"symbol": "Ta", "hash": "d4e2cfe9338ef80da592d5bb9dc782c7"}, "Yb": {"symbol": "Yb", "hash": "9f472bd422f640710f7d93e2d9ce89f4"}, "Dy": {"symbol": "Dy_3", "hash": "d4a05220ab0a2d4c03a76872ea724a1e"}, "I": {"symbol": "I", "hash": "f4ff16a495dd361ff5824ee61b418bb0"}, "U": {"symbol": "U", "hash": "72702eabbb1bc02b4167590dc848ed5d"}, "Y": {"symbol": "Y_sv", "hash": "4ed187e77cd54f198bb88020278b143d"}, "Ac": {"symbol": "Ac", "hash": "d6854224d20e3de6e6fd7399503791d1"}, "Ag": {"symbol": "Ag", "hash": "e8ffa02fe3f3a51338ac1ac91ae968b9"}, "Ir": {"symbol": "Ir", "hash": "dbcf7dcc6f4fb40df7b3d26904f60a66"}, "Al": {"symbol": "Al", "hash": "a6fd9a46aec185f4ad2acd0cbe4ae2fa"}, "As": {"symbol": "As", "hash": "8005364db225a254e52cba350bedd032"}, "Ar": {"symbol": "Ar", "hash": "e782fc6292623b396091bf8b871c272f"}, "Au": {"symbol": "Au", "hash": "a9182d436a13194b744640ac940ab9b0"}, "In": {"symbol": "In", "hash": "7df38c0cdb4e6d9a9b93f09d690bb3ae"}, "Mo": {"symbol": "Mo_pv", "hash": "84e18fd84a98e3d7fa8f055952410df0"}}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vasp.sets"}, "gamma_vasp_cmd": ["srun", "-n", "32", "gvasp"], "vasp_cmd": ["srun", "-n", "32", "vasp"], "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.713409, 1.713409, 1.713409], [1.713409, -1.713409, 1.713409], [1.713409, 1.713409, -1.713409]], "a": 2.9677114421457826, "b": 2.9677114421457826, "c": 2.9677114421457826, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 20.120701709953906}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": -5, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6], "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[20, 20, 20]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-990455", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc7915b2e927b78dbe4258b"}, "dir_name": "mc0621.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-02-03-23-06-40-797835", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "RubyVaspy :: V", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[23, 23, 23]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04347826, 0.0, 0.0], "genvec2": [0.0, 0.04347826, 0.0], "genvec3": [0.0, 0.0, 0.04347826], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 8.219e-05}, {"abc": [0.04347826, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.08695652, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.13043478, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.17391304, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.2173913, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.26086957, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.30434783, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.34782609, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.39130435, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.43478261, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.47826087, 0.0, 0.0], "weight": 0.00098627}, {"abc": [0.04347826, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.08695652, 0.04347826, 0.0], "weight": 0.0039451}, {"abc": [0.13043478, 0.04347826, -0.0], "weight": 0.0039451}, {"abc": [0.17391304, 0.04347826, 0.0], "weight": 0.0039451}, {"abc": [0.2173913, 0.04347826, 0.0], "weight": 0.0039451}, {"abc": [0.26086957, 0.04347826, 0.0], "weight": 0.0039451}, {"abc": [0.30434783, 0.04347826, 0.0], "weight": 0.0039451}, {"abc": [0.34782609, 0.04347826, 0.0], "weight": 0.0039451}, {"abc": [0.39130435, 0.04347826, 0.0], "weight": 0.0039451}, {"abc": [0.43478261, 0.04347826, -0.0], "weight": 0.0039451}, {"abc": [0.47826087, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.08695652, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.13043478, 0.08695652, 0.0], "weight": 0.0039451}, {"abc": [0.17391304, 0.08695652, 0.0], "weight": 0.0039451}, {"abc": [0.2173913, 0.08695652, 0.0], "weight": 0.0039451}, {"abc": [0.26086957, 0.08695652, -0.0], "weight": 0.0039451}, {"abc": [0.30434783, 0.08695652, 0.0], "weight": 0.0039451}, {"abc": [0.34782609, 0.08695652, 0.0], "weight": 0.0039451}, {"abc": [0.39130435, 0.08695652, 0.0], "weight": 0.0039451}, {"abc": [0.43478261, 0.08695652, 0.0], "weight": 0.0039451}, {"abc": [0.13043478, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.17391304, 0.13043478, -0.0], "weight": 0.0039451}, {"abc": [0.2173913, 0.13043478, -0.0], "weight": 0.0039451}, {"abc": [0.26086957, 0.13043478, 0.0], "weight": 0.0039451}, {"abc": [0.30434783, 0.13043478, 0.0], "weight": 0.0039451}, {"abc": [0.34782609, 0.13043478, 0.0], "weight": 0.0039451}, {"abc": [0.39130435, 0.13043478, 0.0], "weight": 0.0039451}, {"abc": [0.43478261, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.17391304, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [0.2173913, 0.17391304, 0.0], "weight": 0.0039451}, {"abc": [0.26086957, 0.17391304, 0.0], "weight": 0.0039451}, {"abc": [0.30434783, 0.17391304, 0.0], "weight": 0.0039451}, {"abc": [0.34782609, 0.17391304, 0.0], "weight": 0.0039451}, {"abc": [0.39130435, 0.17391304, 0.0], "weight": 0.0039451}, {"abc": [0.2173913, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [0.26086957, 0.2173913, 0.0], "weight": 0.0039451}, {"abc": [0.30434783, 0.2173913, 0.0], "weight": 0.0039451}, {"abc": [0.34782609, 0.2173913, 0.0], "weight": 0.0039451}, {"abc": [0.39130435, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [0.26086957, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [0.30434783, 0.26086957, 0.0], "weight": 0.0039451}, {"abc": [0.34782609, 0.26086957, 0.0], "weight": 0.0039451}, {"abc": [0.30434783, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [0.34782609, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [0.04347826, 0.04347826, 0.04347826], "weight": 0.00065752}, {"abc": [0.08695652, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.13043478, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.17391304, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.2173913, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.26086957, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.30434783, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.34782609, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.39130435, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [0.43478261, 0.04347826, 0.04347826], "weight": 0.00197255}, {"abc": [-0.04347826, 0.04347826, 0.04347826], "weight": 0.00049314}, {"abc": [0.08695652, 0.08695652, 0.04347826], "weight": 0.00197255}, {"abc": [0.13043478, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.17391304, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.2173913, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.26086957, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.43478261, 0.08695652, 0.04347826], "weight": 0.00197255}, {"abc": [-0.08695652, 0.08695652, 0.04347826], "weight": 0.00197255}, {"abc": [0.13043478, 0.13043478, 0.04347826], "weight": 0.00197255}, {"abc": [0.17391304, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.2173913, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.26086957, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.13043478, 0.13043478, 0.04347826], "weight": 0.00197255}, {"abc": [-0.08695652, 0.13043478, 0.04347826], "weight": 0.00197255}, {"abc": [0.17391304, 0.17391304, 0.04347826], "weight": 0.00197255}, {"abc": [0.2173913, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.26086957, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.17391304, 0.04347826], "weight": 0.00197255}, {"abc": [-0.17391304, 0.17391304, 0.04347826], "weight": 0.00197255}, {"abc": [-0.13043478, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.2173913, 0.2173913, 0.04347826], "weight": 0.00197255}, {"abc": [0.26086957, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.2173913, 0.04347826], "weight": 0.00197255}, {"abc": [-0.17391304, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.13043478, 0.2173913, 0.04347826], "weight": 0.00197255}, {"abc": [0.26086957, 0.26086957, 0.04347826], "weight": 0.00197255}, {"abc": [0.30434783, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.26086957, 0.04347826], "weight": 0.00197255}, {"abc": [-0.26086957, 0.26086957, 0.04347826], "weight": 0.00197255}, {"abc": [-0.2173913, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.17391304, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.30434783, 0.04347826], "weight": 0.00197255}, {"abc": [-0.30434783, 0.30434783, 0.04347826], "weight": 0.00197255}, {"abc": [-0.26086957, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.17391304, 0.30434783, 0.04347826], "weight": 0.00197255}, {"abc": [-0.34782609, 0.34782609, 0.04347826], "weight": 0.00197255}, {"abc": [-0.30434783, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.39130435, 0.04347826], "weight": 0.00197255}, {"abc": [-0.34782609, 0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.39130435, 0.04347826], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.04347826], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.47826087, 0.04347826], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.47826087, 0.04347826], "weight": 0.00197255}, {"abc": [-0.47826087, -0.47826087, 0.04347826], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, -0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, -0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, -0.47826087, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, -0.43478261, 0.04347826], "weight": 0.00197255}, {"abc": [-0.39130435, -0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, -0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, -0.43478261, 0.04347826], "weight": 0.00197255}, {"abc": [-0.39130435, -0.39130435, 0.04347826], "weight": 0.00197255}, {"abc": [-0.34782609, -0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, -0.34782609, 0.04347826], "weight": 0.00065752}, {"abc": [0.08695652, 0.08695652, 0.08695652], "weight": 0.00065752}, {"abc": [0.13043478, 0.08695652, 0.08695652], "weight": 0.00197255}, {"abc": [0.17391304, 0.08695652, 0.08695652], "weight": 0.00197255}, {"abc": [0.2173913, 0.08695652, 0.08695652], "weight": 0.00197255}, {"abc": [0.26086957, 0.08695652, 0.08695652], "weight": 0.00197255}, {"abc": [0.30434783, 0.08695652, 0.08695652], "weight": 0.00197255}, {"abc": [0.34782609, 0.08695652, 0.08695652], "weight": 0.00197255}, {"abc": [0.39130435, 0.08695652, 0.08695652], "weight": 0.00197255}, {"abc": [-0.08695652, 0.08695652, 0.08695652], "weight": 0.00049314}, {"abc": [0.13043478, 0.13043478, 0.08695652], "weight": 0.00197255}, {"abc": [0.17391304, 0.13043478, 0.08695652], "weight": 0.0039451}, {"abc": [0.2173913, 0.13043478, 0.08695652], "weight": 0.0039451}, {"abc": [0.26086957, 0.13043478, 0.08695652], "weight": 0.0039451}, {"abc": [0.30434783, 0.13043478, 0.08695652], "weight": 0.0039451}, {"abc": [0.34782609, 0.13043478, 0.08695652], "weight": 0.0039451}, {"abc": [0.39130435, 0.13043478, 0.08695652], "weight": 0.00197255}, {"abc": [-0.13043478, 0.13043478, 0.08695652], "weight": 0.00197255}, {"abc": [0.17391304, 0.17391304, 0.08695652], "weight": 0.00197255}, {"abc": [0.2173913, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.26086957, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.30434783, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.34782609, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [-0.17391304, 0.17391304, 0.08695652], "weight": 0.00197255}, {"abc": [-0.13043478, 0.17391304, 0.08695652], "weight": 0.00197255}, {"abc": [0.2173913, 0.2173913, 0.08695652], "weight": 0.00197255}, {"abc": [0.26086957, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [0.30434783, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [0.34782609, 0.2173913, 0.08695652], "weight": 0.00197255}, {"abc": [-0.2173913, 0.2173913, 0.08695652], "weight": 0.00197255}, {"abc": [-0.17391304, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [0.26086957, 0.26086957, 0.08695652], "weight": 0.00197255}, {"abc": [0.30434783, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.26086957, 0.08695652], "weight": 0.00197255}, {"abc": [-0.2173913, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.17391304, 0.26086957, 0.08695652], "weight": 0.00197255}, {"abc": [0.30434783, 0.30434783, 0.08695652], "weight": 0.00065752}, {"abc": [-0.30434783, 0.30434783, 0.08695652], "weight": 0.00197255}, {"abc": [-0.26086957, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.2173913, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.34782609, 0.08695652], "weight": 0.00197255}, {"abc": [-0.30434783, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.2173913, 0.34782609, 0.08695652], "weight": 0.00197255}, {"abc": [-0.39130435, 0.39130435, 0.08695652], "weight": 0.00197255}, {"abc": [-0.34782609, 0.39130435, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.39130435, 0.08695652], "weight": 0.0039451}, {"abc": [-0.43478261, 0.43478261, 0.08695652], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.43478261, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.43478261, 0.08695652], "weight": 0.00197255}, {"abc": [-0.47826087, 0.47826087, 0.08695652], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, 0.47826087, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.47826087, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.47826087, 0.08695652], "weight": 0.0039451}, {"abc": [-0.47826087, -0.47826087, 0.08695652], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, -0.47826087, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, -0.47826087, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, -0.47826087, 0.08695652], "weight": 0.00197255}, {"abc": [-0.43478261, -0.43478261, 0.08695652], "weight": 0.00197255}, {"abc": [-0.39130435, -0.43478261, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, -0.43478261, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, -0.39130435, 0.08695652], "weight": 0.00197255}, {"abc": [-0.34782609, -0.39130435, 0.08695652], "weight": 0.00197255}, {"abc": [0.13043478, 0.13043478, 0.13043478], "weight": 0.00065752}, {"abc": [0.17391304, 0.13043478, 0.13043478], "weight": 0.00197255}, {"abc": [0.2173913, 0.13043478, 0.13043478], "weight": 0.00197255}, {"abc": [0.26086957, 0.13043478, 0.13043478], "weight": 0.00197255}, {"abc": [0.30434783, 0.13043478, 0.13043478], "weight": 0.00197255}, {"abc": [0.34782609, 0.13043478, 0.13043478], "weight": 0.00197255}, {"abc": [-0.13043478, 0.13043478, 0.13043478], "weight": 0.00049314}, {"abc": [0.17391304, 0.17391304, 0.13043478], "weight": 0.00197255}, {"abc": [0.2173913, 0.17391304, 0.13043478], "weight": 0.0039451}, {"abc": [0.26086957, 0.17391304, 0.13043478], "weight": 0.0039451}, {"abc": [0.30434783, 0.17391304, 0.13043478], "weight": 0.0039451}, {"abc": [0.34782609, 0.17391304, 0.13043478], "weight": 0.00197255}, {"abc": [-0.17391304, 0.17391304, 0.13043478], "weight": 0.00197255}, {"abc": [0.2173913, 0.2173913, 0.13043478], "weight": 0.00197255}, {"abc": [0.26086957, 0.2173913, 0.13043478], "weight": 0.0039451}, {"abc": [0.30434783, 0.2173913, 0.13043478], "weight": 0.0039451}, {"abc": [-0.2173913, 0.2173913, 0.13043478], "weight": 0.00197255}, {"abc": [-0.17391304, 0.2173913, 0.13043478], "weight": 0.00197255}, {"abc": [0.26086957, 0.26086957, 0.13043478], "weight": 0.00197255}, {"abc": [0.30434783, 0.26086957, 0.13043478], "weight": 0.00197255}, {"abc": [-0.26086957, 0.26086957, 0.13043478], "weight": 0.00197255}, {"abc": [-0.2173913, 0.26086957, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.30434783, 0.13043478], "weight": 0.00197255}, {"abc": [-0.26086957, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.2173913, 0.30434783, 0.13043478], "weight": 0.00197255}, {"abc": [-0.34782609, 0.34782609, 0.13043478], "weight": 0.00197255}, {"abc": [-0.30434783, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.26086957, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.39130435, 0.39130435, 0.13043478], "weight": 0.00197255}, {"abc": [-0.34782609, 0.39130435, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.13043478], "weight": 0.0039451}, {"abc": [-0.26086957, 0.39130435, 0.13043478], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.13043478], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.43478261, 0.13043478], "weight": 0.0039451}, {"abc": [-0.47826087, 0.47826087, 0.13043478], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.13043478], "weight": 0.0039451}, {"abc": [-0.39130435, 0.47826087, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, 0.47826087, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.47826087, 0.13043478], "weight": 0.00197255}, {"abc": [-0.47826087, -0.47826087, 0.13043478], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.13043478], "weight": 0.0039451}, {"abc": [-0.39130435, -0.47826087, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, -0.47826087, 0.13043478], "weight": 0.0039451}, {"abc": [-0.43478261, -0.43478261, 0.13043478], "weight": 0.00197255}, {"abc": [-0.39130435, -0.43478261, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, -0.43478261, 0.13043478], "weight": 0.00197255}, {"abc": [-0.39130435, -0.39130435, 0.13043478], "weight": 0.00197255}, {"abc": [0.17391304, 0.17391304, 0.17391304], "weight": 0.00065752}, {"abc": [0.2173913, 0.17391304, 0.17391304], "weight": 0.00197255}, {"abc": [0.26086957, 0.17391304, 0.17391304], "weight": 0.00197255}, {"abc": [0.30434783, 0.17391304, 0.17391304], "weight": 0.00197255}, {"abc": [-0.17391304, 0.17391304, 0.17391304], "weight": 0.00049314}, {"abc": [0.2173913, 0.2173913, 0.17391304], "weight": 0.00197255}, {"abc": [0.26086957, 0.2173913, 0.17391304], "weight": 0.0039451}, {"abc": [0.30434783, 0.2173913, 0.17391304], "weight": 0.00197255}, {"abc": [-0.2173913, 0.2173913, 0.17391304], "weight": 0.00197255}, {"abc": [0.26086957, 0.26086957, 0.17391304], "weight": 0.00197255}, {"abc": [-0.26086957, 0.26086957, 0.17391304], "weight": 0.00197255}, {"abc": [-0.2173913, 0.26086957, 0.17391304], "weight": 0.00197255}, {"abc": [-0.30434783, 0.30434783, 0.17391304], "weight": 0.00197255}, {"abc": [-0.26086957, 0.30434783, 0.17391304], "weight": 0.0039451}, {"abc": [-0.34782609, 0.34782609, 0.17391304], "weight": 0.00197255}, {"abc": [-0.30434783, 0.34782609, 0.17391304], "weight": 0.0039451}, {"abc": [-0.26086957, 0.34782609, 0.17391304], "weight": 0.00197255}, {"abc": [-0.39130435, 0.39130435, 0.17391304], "weight": 0.00197255}, {"abc": [-0.34782609, 0.39130435, 0.17391304], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.17391304], "weight": 0.0039451}, {"abc": [-0.43478261, 0.43478261, 0.17391304], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.17391304], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.17391304], "weight": 0.0039451}, {"abc": [-0.30434783, 0.43478261, 0.17391304], "weight": 0.00197255}, {"abc": [-0.47826087, 0.47826087, 0.17391304], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.17391304], "weight": 0.0039451}, {"abc": [-0.39130435, 0.47826087, 0.17391304], "weight": 0.0039451}, {"abc": [-0.34782609, 0.47826087, 0.17391304], "weight": 0.0039451}, {"abc": [-0.47826087, -0.47826087, 0.17391304], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.17391304], "weight": 0.0039451}, {"abc": [-0.39130435, -0.47826087, 0.17391304], "weight": 0.0039451}, {"abc": [-0.34782609, -0.47826087, 0.17391304], "weight": 0.00197255}, {"abc": [-0.43478261, -0.43478261, 0.17391304], "weight": 0.00197255}, {"abc": [-0.39130435, -0.43478261, 0.17391304], "weight": 0.0039451}, {"abc": [-0.39130435, -0.39130435, 0.17391304], "weight": 0.00065752}, {"abc": [0.2173913, 0.2173913, 0.2173913], "weight": 0.00065752}, {"abc": [0.26086957, 0.2173913, 0.2173913], "weight": 0.00197255}, {"abc": [-0.2173913, 0.2173913, 0.2173913], "weight": 0.00049314}, {"abc": [0.26086957, 0.26086957, 0.2173913], "weight": 0.00065752}, {"abc": [-0.26086957, 0.26086957, 0.2173913], "weight": 0.00197255}, {"abc": [-0.30434783, 0.30434783, 0.2173913], "weight": 0.00197255}, {"abc": [-0.26086957, 0.30434783, 0.2173913], "weight": 0.00197255}, {"abc": [-0.34782609, 0.34782609, 0.2173913], "weight": 0.00197255}, {"abc": [-0.30434783, 0.34782609, 0.2173913], "weight": 0.0039451}, {"abc": [-0.39130435, 0.39130435, 0.2173913], "weight": 0.00197255}, {"abc": [-0.34782609, 0.39130435, 0.2173913], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.2173913], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.2173913], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.2173913], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.2173913], "weight": 0.0039451}, {"abc": [-0.47826087, 0.47826087, 0.2173913], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.2173913], "weight": 0.0039451}, {"abc": [-0.39130435, 0.47826087, 0.2173913], "weight": 0.0039451}, {"abc": [-0.34782609, 0.47826087, 0.2173913], "weight": 0.00197255}, {"abc": [-0.47826087, -0.47826087, 0.2173913], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.2173913], "weight": 0.0039451}, {"abc": [-0.39130435, -0.47826087, 0.2173913], "weight": 0.0039451}, {"abc": [-0.43478261, -0.43478261, 0.2173913], "weight": 0.00197255}, {"abc": [-0.39130435, -0.43478261, 0.2173913], "weight": 0.00197255}, {"abc": [-0.26086957, 0.26086957, 0.26086957], "weight": 0.00049314}, {"abc": [-0.30434783, 0.30434783, 0.26086957], "weight": 0.00197255}, {"abc": [-0.34782609, 0.34782609, 0.26086957], "weight": 0.00197255}, {"abc": [-0.30434783, 0.34782609, 0.26086957], "weight": 0.00197255}, {"abc": [-0.39130435, 0.39130435, 0.26086957], "weight": 0.00197255}, {"abc": [-0.34782609, 0.39130435, 0.26086957], "weight": 0.0039451}, {"abc": [-0.43478261, 0.43478261, 0.26086957], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.26086957], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.26086957], "weight": 0.00197255}, {"abc": [-0.47826087, 0.47826087, 0.26086957], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.26086957], "weight": 0.0039451}, {"abc": [-0.39130435, 0.47826087, 0.26086957], "weight": 0.0039451}, {"abc": [-0.47826087, -0.47826087, 0.26086957], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.26086957], "weight": 0.0039451}, {"abc": [-0.39130435, -0.47826087, 0.26086957], "weight": 0.00197255}, {"abc": [-0.43478261, -0.43478261, 0.26086957], "weight": 0.00197255}, {"abc": [-0.30434783, 0.30434783, 0.30434783], "weight": 0.00049314}, {"abc": [-0.34782609, 0.34782609, 0.30434783], "weight": 0.00197255}, {"abc": [-0.39130435, 0.39130435, 0.30434783], "weight": 0.00197255}, {"abc": [-0.34782609, 0.39130435, 0.30434783], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.30434783], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.30434783], "weight": 0.0039451}, {"abc": [-0.47826087, 0.47826087, 0.30434783], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.30434783], "weight": 0.0039451}, {"abc": [-0.39130435, 0.47826087, 0.30434783], "weight": 0.00197255}, {"abc": [-0.47826087, -0.47826087, 0.30434783], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.30434783], "weight": 0.0039451}, {"abc": [-0.43478261, -0.43478261, 0.30434783], "weight": 0.00065752}, {"abc": [-0.34782609, 0.34782609, 0.34782609], "weight": 0.00049314}, {"abc": [-0.39130435, 0.39130435, 0.34782609], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.34782609], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.34782609], "weight": 0.00197255}, {"abc": [-0.47826087, 0.47826087, 0.34782609], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.34782609], "weight": 0.0039451}, {"abc": [-0.47826087, -0.47826087, 0.34782609], "weight": 0.00197255}, {"abc": [-0.43478261, -0.47826087, 0.34782609], "weight": 0.00197255}, {"abc": [-0.39130435, 0.39130435, 0.39130435], "weight": 0.00049314}, {"abc": [-0.43478261, 0.43478261, 0.39130435], "weight": 0.00197255}, {"abc": [-0.47826087, 0.47826087, 0.39130435], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.39130435], "weight": 0.00197255}, {"abc": [-0.47826087, -0.47826087, 0.39130435], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.43478261], "weight": 0.00049314}, {"abc": [-0.47826087, 0.47826087, 0.43478261], "weight": 0.00197255}, {"abc": [-0.47826087, -0.47826087, 0.43478261], "weight": 0.00065752}, {"abc": [-0.47826087, 0.47826087, 0.47826087], "weight": 0.00049314}]}, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "RubyVaspy :: V", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.04596401, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-0.0, 2.099073236947272, 2.099073236947272], [2.099073236947272, 0.0, 2.099073236947272], [2.099073236947272, 2.099073236947272, 0.0]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -9.07981481, "e_wo_entrp": -9.07944897, "e_0_energy": -0.00109751, "forces": [[-0.0, 0.0, -0.0]], "stress": [[9.24135752, 0.0, 0.0], [-0.0, 9.24135752, 0.0], [-0.0, 0.0, 9.24135752]], "electronic_steps": [{"alphaZ": 102.68728859, "ewald": -1059.17832896, "hartreedc": -283.0940175, "XCdc": 30.99750518, "pawpsdc": 960.00120492, "pawaedc": -935.86768284, "eentropy": 0.00079559, "bandstr": -56.66771699, "atom": 1321.33482025, "e_fr_energy": 80.21386824, "e_wo_entrp": 80.21307266, "e_0_energy": 80.21360305}, {"e_fr_energy": -5.70960443, "e_wo_entrp": -5.7099569, "e_0_energy": -5.70972192}, {"e_fr_energy": -6.76863617, "e_wo_entrp": -6.76807212, "e_0_energy": -6.76844815}, {"e_fr_energy": -6.77459586, "e_wo_entrp": -6.77402773, "e_0_energy": -6.77440648}, {"e_fr_energy": -6.7746562, "e_wo_entrp": -6.77408811, "e_0_energy": -6.77446684}, {"e_fr_energy": -8.96519102, "e_wo_entrp": -8.96351581, "e_0_energy": -8.96463261}, {"e_fr_energy": -9.02268774, "e_wo_entrp": -9.02175118, "e_0_energy": -9.02237555}, {"e_fr_energy": -9.07486208, "e_wo_entrp": -9.07394614, "e_0_energy": -9.07455677}, {"e_fr_energy": -9.07465607, "e_wo_entrp": -9.07364737, "e_0_energy": -9.07431984}, {"e_fr_energy": -9.07967797, "e_wo_entrp": -9.07858627, "e_0_energy": -9.07931407}, {"e_fr_energy": -9.07980752, "e_wo_entrp": -9.07870966, "e_0_energy": -9.07944157}, {"e_fr_energy": -9.07981508, "e_wo_entrp": -9.07871737, "e_0_energy": -9.07944918}, {"alphaZ": 102.68728859, "ewald": -1059.17832896, "hartreedc": -253.72824837, "XCdc": 27.04312239, "pawpsdc": 975.57878211, "pawaedc": -955.29518087, "eentropy": -0.00109751, "bandstr": -167.52097243, "atom": 1321.33482025, "e_fr_energy": -9.07981481, "e_wo_entrp": -9.0787173, "e_0_energy": -9.07944897}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}], "efermi": 5.8792247, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "energy": -9.07944897, "energy_per_atom": -9.07944897, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8792, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 0.357, "p": 6.238, "d": 3.075, "tot": 9.67}], "total_magnetization": 0.0004658, "nelect": 10.9999988, "is_stopped": false}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-02-03-23-06-40-797835", "completed_at": "2016-02-03 19:13:28.389089", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59956f73d1b6dd211ca66fbb"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59956f73d1b6dd211ca66fbe"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 57200.0, "Elapsed time (sec)": 66.593, "System time (sec)": 10.757, "User time (sec)": 54.18, "Total CPU time used (sec)": 64.937, "cores": "32"}, "overall": {"Total CPU time used (sec)": 64.937, "User time (sec)": 54.18, "System time (sec)": 10.757, "Elapsed time (sec)": 66.593}}, "chemsys": "V", "formula_anonymous": "A", "formula_reduced_abc": "V1", "completed_at": "2016-02-03 19:13:28.389089", "nsites": 1, "composition_unit_cell": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "elements": ["V"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "RubyVaspy :: V", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.04596401, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "RubyVaspy :: V", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": 0.0}}]}, "density": 6.308033401263687, "energy": -9.07944897, "energy_per_atom": -9.07944897, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Im-3m", "number": 229, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-I 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-02-03 19:13:28"}, "transformations": {}, "custodian": [{"corrections": [{"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["brmix"], "actions": [{"action": {"_set": {"generation_style": "Gamma"}}, "dict": "KPOINTS"}, {"action": {"_set": {"kpoints": [[23, 23, 23]]}}, "dict": "KPOINTS"}]}], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "LDAUPRINT": 1, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11", "ICHARG": 1}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": {"symbol": "Ru_pv", "hash": "7925f4d4b68076d70af7cd86eef9ba8d"}, "Re": {"symbol": "Re", "hash": "72385e193c92a8acfe17ea49004c2be1"}, "Rb": {"symbol": "Rb_pv", "hash": "e447c648d870b066b3514e6b800727ab"}, "Rh": {"symbol": "Rh", "hash": "2c3dba3fcc6058ca1b1cfa75e45084bc"}, "Be": {"symbol": "Be", "hash": "fb974e44d56a8c62c6bbd1a1eb70c3a7"}, "Ba": {"symbol": "Ba_sv", "hash": "c0477913afb63dfae3439f3534fbf0ed"}, "Bi": {"symbol": "Bi", "hash": "e29661c79d59abae3b3ba69eae24b1a5"}, "Br": {"symbol": "Br", "hash": "40f9594b4506684a69158c8975cfb9d6"}, "H": {"symbol": "H", "hash": "bb43c666e3d36577264afe07669e9582"}, "P": {"symbol": "P", "hash": "7dc3393307131ae67785a0cdacb61d5f"}, "Os": {"symbol": "Os", "hash": "35c2cb48d48a9c38c40fb82bbe70626d"}, "Ge": {"symbol": "Ge", "hash": "79e788788c31e196a460553010512d3f"}, "Gd": {"symbol": "Gd", "hash": "1f0d42b1e5f6769d319d3f247992aeb9"}, "Ga": {"symbol": "Ga", "hash": "6e0b9d58412b1bfcd7252aff13d476c2"}, "Pr": {"symbol": "Pr", "hash": "92f191499bf5346ea652bb806350ad87"}, "Pt": {"symbol": "Pt", "hash": "a604ea3c6a9cc23c739b762f625cf449"}, "Pu": {"symbol": "Pu", "hash": "f1d01e845dccc52d448679911f301a73"}, "C": {"symbol": "C", "hash": "c0a8167dbb174fe492a3db7f5006c0f8"}, "Pb": {"symbol": "Pb", "hash": "704c2c967247d7f84090d2536c91877d"}, "Pa": {"symbol": "Pa", "hash": "a1fdb1089d0727f415416ec8082246ba"}, "Pd": {"symbol": "Pd", "hash": "a395eb3aaf2fcab12fac3030a1146f61"}, "Cd": {"symbol": "Cd", "hash": "0506b2d0ac28d5fe2b5ced77a701aa86"}, "Pm": {"symbol": "Pm", "hash": "a2c9485ea86b2a7cf175077e6e5c7b3e"}, "Ho": {"symbol": "Ho_3", "hash": "661891464a27e87cf7e1324dd1893b77"}, "Hf": {"symbol": "Hf", "hash": "b113f150cbf9c736f8244a6c25b0482e"}, "Hg": {"symbol": "Hg", "hash": "c2f15dfb5fd53396c5427635e5019160"}, "He": {"symbol": "He", "hash": "47f9434aa3db96c85d7c4b3e4c2df09b"}, "Mg": {"symbol": "Mg", "hash": "1771eb72adbbfa6310d66e7517e49930"}, "K": {"symbol": "K_sv", "hash": "3e84f86d37f203a4fb01de36af57e430"}, "Mn": {"symbol": "Mn", "hash": "d082dba29b57ab59b3165e605dbf71b8"}, "O": {"symbol": "O", "hash": "7a25bc5b9a5393f46600a4939d357982"}, "S": {"symbol": "S", "hash": "d368db6899d8839859bbee4811a42a88"}, "W": {"symbol": "W_pv", "hash": "2a33e0d5c700640535f60ac0a12177ab"}, "Zn": {"symbol": "Zn", "hash": "e35ee27f8483a63bb68dbc236a343af3"}, "Eu": {"symbol": "Eu", "hash": "d466d046adf21f6146ee9644049ea268"}, "Zr": {"symbol": "Zr", "hash": "d221d2c0bac4f8e81af2f5c42a314274"}, "Er": {"symbol": "Er_3", "hash": "daa65a04877317f8c3c593ddeaa8a132"}, "Ni": {"symbol": "Ni", "hash": "653f5772e68b2c7fd87ffd1086c0d710"}, "Na": {"symbol": "Na", "hash": "1a89e79f7e21d99e8cf5788979f6a987"}, "Nb": {"symbol": "Nb_pv", "hash": "7bcee99a4dc3094be0f9fd7961c02966"}, "Nd": {"symbol": "Nd", "hash": "0c64e63070cee837c967283fffa001df"}, "Ne": {"symbol": "Ne", "hash": "52064eee378b9e37a295a674f1c278f0"}, "Np": {"symbol": "Np", "hash": "20cb30b714200c4db870550b288ac4cd"}, "Fe": {"symbol": "Fe", "hash": "9530da8244e4dac17580869b4adab115"}, "B": {"symbol": "B", "hash": "18ed2875dfa6305324cec3d7d59273ae"}, "F": {"symbol": "F", "hash": "180141c33d032bfbfff30b3bea9d23dd"}, "Sr": {"symbol": "Sr_sv", "hash": "ca6a5429c120a0ab705824386a76fe5b"}, "N": {"symbol": "N", "hash": "b98fd027ddebc67da4063ff2cabbc04b"}, "Kr": {"symbol": "Kr", "hash": "39b9b85ae3982e6c012fb549b2840ce5"}, "Si": {"symbol": "Si", "hash": "b2b0ea6feb62e7cde209616683b8f7f5"}, "Sn": {"symbol": "Sn_d", "hash": "849b0795e148f93113a06be8fd5f5001"}, "Sm": {"symbol": "Sm_3", "hash": "e5e274e7cd99602ca81d146155abdf88"}, "V": {"symbol": "V_pv", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}, "Sc": {"symbol": "Sc_sv", "hash": "dc386f505ad0c43385a7715b4111cb75"}, "Sb": {"symbol": "Sb", "hash": "d82c022b02fc5344e85bd1909f9ee3e7"}, "Se": {"symbol": "Se", "hash": "67a8804ede9f1112726e3d136978ef19"}, "Co": {"symbol": "Co", "hash": "b169bca4e137294d2ab3df8cbdd09083"}, "Cl": {"symbol": "Cl", "hash": "779b9901046c78fe51c5d80224642aeb"}, "Ca": {"symbol": "Ca_sv", "hash": "eb006721e214c04b3c13146e81b3a27d"}, "Ce": {"symbol": "Ce", "hash": "ff3a09f2ff91798e58eb4b9854e9be4a"}, "Xe": {"symbol": "Xe", "hash": "338472e581f58b41d37c002a5e22353b"}, "Tm": {"symbol": "Tm_3", "hash": "94a07cb7949b01305cb161da0cbfb492"}, "Cs": {"symbol": "Cs_sv", "hash": "096b53a7d80cc0086976bcda50d536e5"}, "Cr": {"symbol": "Cr", "hash": "82c14307937c7509fda4e9bc023d243d"}, "Cu": {"symbol": "Cu", "hash": "8ca4e43a30de0c397e51f16bbb20d678"}, "La": {"symbol": "La", "hash": "9b3ce03d18f7c0b40471a817ff91b287"}, "Li": {"symbol": "Li", "hash": "65e83282d1707ec078c1012afbd05be8"}, "Tl": {"symbol": "Tl", "hash": "2aa0d5406aaab7ebfbc761da382f1352"}, "Lu": {"symbol": "Lu_3", "hash": "d40a90babf1224b88ffb4c3273ac3848"}, "Th": {"symbol": "Th", "hash": "aea79f322180fa6f0bfa74cb2a156dcf"}, "Ti": {"symbol": "Ti", "hash": "c617e8b539c3f44a0ab6e8da2a92d318"}, "Te": {"symbol": "Te", "hash": "72719856e22fb1d3032df6f96d98a0f2"}, "Tb": {"symbol": "Tb_3", "hash": "0790955c547003956c0fd4f080f7f508"}, "Tc": {"symbol": "Tc", "hash": "9592642886319309a39d55c5717c6f48"}, "Ta": {"symbol": "Ta", "hash": "d4e2cfe9338ef80da592d5bb9dc782c7"}, "Yb": {"symbol": "Yb", "hash": "9f472bd422f640710f7d93e2d9ce89f4"}, "Dy": {"symbol": "Dy_3", "hash": "d4a05220ab0a2d4c03a76872ea724a1e"}, "I": {"symbol": "I", "hash": "f4ff16a495dd361ff5824ee61b418bb0"}, "U": {"symbol": "U", "hash": "72702eabbb1bc02b4167590dc848ed5d"}, "Y": {"symbol": "Y_sv", "hash": "4ed187e77cd54f198bb88020278b143d"}, "Ac": {"symbol": "Ac", "hash": "d6854224d20e3de6e6fd7399503791d1"}, "Ag": {"symbol": "Ag", "hash": "e8ffa02fe3f3a51338ac1ac91ae968b9"}, "Ir": {"symbol": "Ir", "hash": "dbcf7dcc6f4fb40df7b3d26904f60a66"}, "Al": {"symbol": "Al", "hash": "a6fd9a46aec185f4ad2acd0cbe4ae2fa"}, "As": {"symbol": "As", "hash": "8005364db225a254e52cba350bedd032"}, "Ar": {"symbol": "Ar", "hash": "e782fc6292623b396091bf8b871c272f"}, "Au": {"symbol": "Au", "hash": "a9182d436a13194b744640ac940ab9b0"}, "In": {"symbol": "In", "hash": "7df38c0cdb4e6d9a9b93f09d690bb3ae"}, "Mo": {"symbol": "Mo_pv", "hash": "84e18fd84a98e3d7fa8f055952410df0"}}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vasp.sets"}, "gamma_vasp_cmd": ["srun", "-n", "32", "gvasp"], "vasp_cmd": ["srun", "-n", "32", "vasp"], "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[-1.496657, 1.496657, 1.496657], [1.496657, -1.496657, 1.496657], [1.496657, 1.496657, -1.496657]], "a": 2.592285965503613, "b": 2.592285965503613, "c": 2.592285965503613, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 13.409940012241218}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [5], "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: v", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-990535", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc7884f2e927b78dbe37aa3"}, "dir_name": "mc0827.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-02-04-09-22-10-546124", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["V"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "RubyVaspy :: V", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[23, 23, 23]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04347826, 0.0, 0.0], "genvec2": [0.0, 0.04347826, 0.0], "genvec3": [0.0, 0.0, 0.04347826], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 8.219e-05}, {"abc": [0.04347826, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.08695652, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.13043478, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.17391304, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.2173913, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.26086957, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.30434783, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.34782609, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.39130435, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.43478261, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.47826087, 0.0, 0.0], "weight": 0.00065752}, {"abc": [0.04347826, 0.04347826, 0.0], "weight": 0.00049314}, {"abc": [0.08695652, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.13043478, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.17391304, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.2173913, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.26086957, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.30434783, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.34782609, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.39130435, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.30434783, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.26086957, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.2173913, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.17391304, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.13043478, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.08695652, 0.04347826, 0.0], "weight": 0.00197255}, {"abc": [-0.04347826, 0.04347826, 0.0], "weight": 0.00098627}, {"abc": [0.08695652, 0.08695652, 0.0], "weight": 0.00049314}, {"abc": [0.13043478, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.17391304, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.2173913, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.26086957, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.30434783, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.34782609, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.39130435, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.30434783, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.26086957, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.2173913, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.17391304, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.13043478, 0.08695652, 0.0], "weight": 0.00197255}, {"abc": [-0.08695652, 0.08695652, 0.0], "weight": 0.00098627}, {"abc": [0.13043478, 0.13043478, 0.0], "weight": 0.00049314}, {"abc": [0.17391304, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.2173913, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.26086957, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.30434783, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.34782609, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.39130435, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.30434783, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.26086957, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.2173913, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.17391304, 0.13043478, 0.0], "weight": 0.00197255}, {"abc": [-0.13043478, 0.13043478, 0.0], "weight": 0.00098627}, {"abc": [0.17391304, 0.17391304, 0.0], "weight": 0.00049314}, {"abc": [0.2173913, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [0.26086957, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [0.30434783, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [0.34782609, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [0.39130435, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.30434783, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.26086957, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.2173913, 0.17391304, 0.0], "weight": 0.00197255}, {"abc": [-0.17391304, 0.17391304, 0.0], "weight": 0.00098627}, {"abc": [0.2173913, 0.2173913, 0.0], "weight": 0.00049314}, {"abc": [0.26086957, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [0.30434783, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [0.34782609, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [0.39130435, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [-0.30434783, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [-0.26086957, 0.2173913, 0.0], "weight": 0.00197255}, {"abc": [-0.2173913, 0.2173913, 0.0], "weight": 0.00098627}, {"abc": [0.26086957, 0.26086957, 0.0], "weight": 0.00049314}, {"abc": [0.30434783, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [0.34782609, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [0.39130435, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [-0.30434783, 0.26086957, 0.0], "weight": 0.00197255}, {"abc": [-0.26086957, 0.26086957, 0.0], "weight": 0.00098627}, {"abc": [0.30434783, 0.30434783, 0.0], "weight": 0.00049314}, {"abc": [0.34782609, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [0.39130435, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.30434783, 0.0], "weight": 0.00197255}, {"abc": [-0.30434783, 0.30434783, 0.0], "weight": 0.00098627}, {"abc": [0.34782609, 0.34782609, 0.0], "weight": 0.00049314}, {"abc": [0.39130435, 0.34782609, 0.0], "weight": 0.00197255}, {"abc": [0.43478261, 0.34782609, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.34782609, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.34782609, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.34782609, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.34782609, 0.0], "weight": 0.00197255}, {"abc": [-0.34782609, 0.34782609, 0.0], "weight": 0.00098627}, {"abc": [0.39130435, 0.39130435, 0.0], "weight": 0.00049314}, {"abc": [0.43478261, 0.39130435, 0.0], "weight": 0.00197255}, {"abc": [0.47826087, 0.39130435, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.39130435, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.39130435, 0.0], "weight": 0.00197255}, {"abc": [-0.39130435, 0.39130435, 0.0], "weight": 0.00098627}, {"abc": [0.43478261, 0.43478261, 0.0], "weight": 0.00049314}, {"abc": [0.47826087, 0.43478261, 0.0], "weight": 0.00197255}, {"abc": [-0.47826087, 0.43478261, 0.0], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.0], "weight": 0.00098627}, {"abc": [0.47826087, 0.47826087, 0.0], "weight": 0.00049314}, {"abc": [-0.47826087, 0.47826087, 0.0], "weight": 0.00098627}, {"abc": [0.13043478, 0.08695652, 0.04347826], "weight": 0.00197255}, {"abc": [0.17391304, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.2173913, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.26086957, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.43478261, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.47826087, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.08695652, 0.04347826], "weight": 0.0039451}, {"abc": [0.17391304, 0.13043478, 0.04347826], "weight": 0.00197255}, {"abc": [0.2173913, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.26086957, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.43478261, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [0.47826087, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.17391304, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.13043478, 0.13043478, 0.04347826], "weight": 0.0039451}, {"abc": [-0.08695652, 0.13043478, 0.04347826], "weight": 0.00197255}, {"abc": [0.2173913, 0.17391304, 0.04347826], "weight": 0.00197255}, {"abc": [0.26086957, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.30434783, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.43478261, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [0.47826087, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.17391304, 0.17391304, 0.04347826], "weight": 0.0039451}, {"abc": [-0.13043478, 0.17391304, 0.04347826], "weight": 0.00197255}, {"abc": [0.26086957, 0.2173913, 0.04347826], "weight": 0.00197255}, {"abc": [0.30434783, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [0.34782609, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [0.43478261, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [0.47826087, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.2173913, 0.04347826], "weight": 0.0039451}, {"abc": [-0.17391304, 0.2173913, 0.04347826], "weight": 0.00197255}, {"abc": [0.30434783, 0.26086957, 0.04347826], "weight": 0.00197255}, {"abc": [0.34782609, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [0.39130435, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [0.43478261, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [0.47826087, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.26086957, 0.04347826], "weight": 0.0039451}, {"abc": [-0.2173913, 0.26086957, 0.04347826], "weight": 0.00197255}, {"abc": [0.34782609, 0.30434783, 0.04347826], "weight": 0.00197255}, {"abc": [0.39130435, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [0.43478261, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [0.47826087, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.30434783, 0.04347826], "weight": 0.0039451}, {"abc": [-0.26086957, 0.30434783, 0.04347826], "weight": 0.00197255}, {"abc": [0.39130435, 0.34782609, 0.04347826], "weight": 0.00197255}, {"abc": [0.43478261, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [0.47826087, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.34782609, 0.04347826], "weight": 0.0039451}, {"abc": [-0.30434783, 0.34782609, 0.04347826], "weight": 0.00197255}, {"abc": [0.43478261, 0.39130435, 0.04347826], "weight": 0.00197255}, {"abc": [0.47826087, 0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.47826087, 0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.39130435, 0.04347826], "weight": 0.0039451}, {"abc": [-0.34782609, 0.39130435, 0.04347826], "weight": 0.00197255}, {"abc": [0.47826087, 0.43478261, 0.04347826], "weight": 0.00197255}, {"abc": [-0.47826087, 0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.43478261, 0.43478261, 0.04347826], "weight": 0.0039451}, {"abc": [-0.39130435, 0.43478261, 0.04347826], "weight": 0.00197255}, {"abc": [-0.47826087, 0.47826087, 0.04347826], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.04347826], "weight": 0.00197255}, {"abc": [0.26086957, 0.17391304, 0.08695652], "weight": 0.00197255}, {"abc": [0.30434783, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.34782609, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.39130435, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.43478261, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.47826087, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [-0.47826087, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [-0.43478261, 0.17391304, 0.08695652], "weight": 0.0039451}, {"abc": [0.30434783, 0.2173913, 0.08695652], "weight": 0.00197255}, {"abc": [0.34782609, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [0.39130435, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [0.43478261, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [0.47826087, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.47826087, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.43478261, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.2173913, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.17391304, 0.2173913, 0.08695652], "weight": 0.0039451}, {"abc": [-0.13043478, 0.2173913, 0.08695652], "weight": 0.00197255}, {"abc": [0.34782609, 0.26086957, 0.08695652], "weight": 0.00197255}, {"abc": [0.39130435, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [0.43478261, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [0.47826087, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.47826087, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.43478261, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.2173913, 0.26086957, 0.08695652], "weight": 0.0039451}, {"abc": [-0.17391304, 0.26086957, 0.08695652], "weight": 0.00197255}, {"abc": [0.39130435, 0.30434783, 0.08695652], "weight": 0.00197255}, {"abc": [0.43478261, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [0.47826087, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.47826087, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.43478261, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.30434783, 0.08695652], "weight": 0.0039451}, {"abc": [-0.2173913, 0.30434783, 0.08695652], "weight": 0.00197255}, {"abc": [0.43478261, 0.34782609, 0.08695652], "weight": 0.00197255}, {"abc": [0.47826087, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.47826087, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.43478261, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.34782609, 0.08695652], "weight": 0.0039451}, {"abc": [-0.26086957, 0.34782609, 0.08695652], "weight": 0.00197255}, {"abc": [0.47826087, 0.39130435, 0.08695652], "weight": 0.00197255}, {"abc": [-0.47826087, 0.39130435, 0.08695652], "weight": 0.0039451}, {"abc": [-0.43478261, 0.39130435, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, 0.39130435, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.39130435, 0.08695652], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.08695652], "weight": 0.00197255}, {"abc": [-0.47826087, 0.43478261, 0.08695652], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.08695652], "weight": 0.0039451}, {"abc": [-0.39130435, 0.43478261, 0.08695652], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.08695652], "weight": 0.00197255}, {"abc": [-0.43478261, 0.47826087, 0.08695652], "weight": 0.00197255}, {"abc": [-0.39130435, 0.47826087, 0.08695652], "weight": 0.00197255}, {"abc": [0.39130435, 0.26086957, 0.13043478], "weight": 0.00197255}, {"abc": [0.43478261, 0.26086957, 0.13043478], "weight": 0.0039451}, {"abc": [0.47826087, 0.26086957, 0.13043478], "weight": 0.0039451}, {"abc": [-0.47826087, 0.26086957, 0.13043478], "weight": 0.0039451}, {"abc": [-0.43478261, 0.26086957, 0.13043478], "weight": 0.0039451}, {"abc": [-0.39130435, 0.26086957, 0.13043478], "weight": 0.0039451}, {"abc": [0.43478261, 0.30434783, 0.13043478], "weight": 0.00197255}, {"abc": [0.47826087, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.47826087, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.43478261, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.39130435, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.26086957, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.2173913, 0.30434783, 0.13043478], "weight": 0.0039451}, {"abc": [-0.17391304, 0.30434783, 0.13043478], "weight": 0.00197255}, {"abc": [0.47826087, 0.34782609, 0.13043478], "weight": 0.00197255}, {"abc": [-0.47826087, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.43478261, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.39130435, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.26086957, 0.34782609, 0.13043478], "weight": 0.0039451}, {"abc": [-0.2173913, 0.34782609, 0.13043478], "weight": 0.00197255}, {"abc": [-0.47826087, 0.39130435, 0.13043478], "weight": 0.00197255}, {"abc": [-0.43478261, 0.39130435, 0.13043478], "weight": 0.0039451}, {"abc": [-0.39130435, 0.39130435, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, 0.39130435, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.13043478], "weight": 0.0039451}, {"abc": [-0.26086957, 0.39130435, 0.13043478], "weight": 0.00197255}, {"abc": [-0.43478261, 0.43478261, 0.13043478], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.13043478], "weight": 0.0039451}, {"abc": [-0.34782609, 0.43478261, 0.13043478], "weight": 0.0039451}, {"abc": [-0.30434783, 0.43478261, 0.13043478], "weight": 0.00197255}, {"abc": [-0.39130435, 0.47826087, 0.13043478], "weight": 0.00197255}, {"abc": [-0.34782609, 0.47826087, 0.13043478], "weight": 0.00197255}, {"abc": [-0.47826087, 0.34782609, 0.17391304], "weight": 0.00197255}, {"abc": [-0.43478261, 0.34782609, 0.17391304], "weight": 0.0039451}, {"abc": [-0.39130435, 0.34782609, 0.17391304], "weight": 0.0039451}, {"abc": [-0.34782609, 0.34782609, 0.17391304], "weight": 0.0039451}, {"abc": [-0.43478261, 0.39130435, 0.17391304], "weight": 0.00197255}, {"abc": [-0.39130435, 0.39130435, 0.17391304], "weight": 0.0039451}, {"abc": [-0.34782609, 0.39130435, 0.17391304], "weight": 0.0039451}, {"abc": [-0.30434783, 0.39130435, 0.17391304], "weight": 0.0039451}, {"abc": [-0.26086957, 0.39130435, 0.17391304], "weight": 0.0039451}, {"abc": [-0.2173913, 0.39130435, 0.17391304], "weight": 0.00197255}, {"abc": [-0.39130435, 0.43478261, 0.17391304], "weight": 0.00197255}, {"abc": [-0.34782609, 0.43478261, 0.17391304], "weight": 0.0039451}, {"abc": [-0.30434783, 0.43478261, 0.17391304], "weight": 0.0039451}, {"abc": [-0.26086957, 0.43478261, 0.17391304], "weight": 0.00197255}, {"abc": [-0.34782609, 0.47826087, 0.17391304], "weight": 0.00197255}, {"abc": [-0.30434783, 0.47826087, 0.17391304], "weight": 0.00197255}, {"abc": [-0.34782609, 0.43478261, 0.2173913], "weight": 0.00197255}, {"abc": [-0.30434783, 0.43478261, 0.2173913], "weight": 0.0039451}, {"abc": [-0.30434783, 0.47826087, 0.2173913], "weight": 0.00197255}, {"abc": [-0.26086957, 0.47826087, 0.2173913], "weight": 0.00197255}]}, "potcar": ["V_pv"], "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "RubyVaspy :: V", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.35545791, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.6452056897300054, 1.6452056897300054, 1.6452056897300054], [1.6452056897300054, -1.6452056897300054, 1.6452056897300054], [1.6452056897300054, 1.6452056897300054, -1.6452056897300054]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -8.83543836, "e_wo_entrp": -8.83568507, "e_0_energy": 0.00074015, "forces": [[0.0, 0.0, -0.0]], "stress": [[-1.67329082, -0.0, -0.0], [0.0, -1.67329082, 0.0], [-0.0, 0.0, -1.67329082]], "electronic_steps": [{"alphaZ": 98.88365629, "ewald": -1045.87084714, "hartreedc": -289.45760572, "XCdc": 30.8605753, "pawpsdc": 960.00120492, "pawaedc": -935.86768284, "eentropy": 0.0003148, "bandstr": -59.20496699, "atom": 1321.33482025, "e_fr_energy": 80.67946887, "e_wo_entrp": 80.67915407, "e_0_energy": 80.67936394}, {"e_fr_energy": -5.88964878, "e_wo_entrp": -5.88956486, "e_0_energy": -5.88962081}, {"e_fr_energy": -6.96863755, "e_wo_entrp": -6.96865718, "e_0_energy": -6.96864409}, {"e_fr_energy": -6.97484705, "e_wo_entrp": -6.97486655, "e_0_energy": -6.97485355}, {"e_fr_energy": -6.97491224, "e_wo_entrp": -6.97493172, "e_0_energy": -6.97491874}, {"e_fr_energy": -8.73067681, "e_wo_entrp": -8.73079267, "e_0_energy": -8.73071543}, {"e_fr_energy": -8.7648542, "e_wo_entrp": -8.76511015, "e_0_energy": -8.76493952}, {"e_fr_energy": -8.83041039, "e_wo_entrp": -8.83097835, "e_0_energy": -8.83059971}, {"e_fr_energy": -8.82919328, "e_wo_entrp": -8.82990192, "e_0_energy": -8.8294295}, {"e_fr_energy": -8.83526944, "e_wo_entrp": -8.83600057, "e_0_energy": -8.83551315}, {"e_fr_energy": -8.83539941, "e_wo_entrp": -8.83613696, "e_0_energy": -8.83564526}, {"e_fr_energy": -8.83543825, "e_wo_entrp": -8.83617755, "e_0_energy": -8.83568468}, {"alphaZ": 98.88365629, "ewald": -1045.87084714, "hartreedc": -259.04615063, "XCdc": 26.87547873, "pawpsdc": 965.1233996, "pawaedc": -945.12630443, "eentropy": 0.00074015, "bandstr": -171.01023117, "atom": 1321.33482025, "e_fr_energy": -8.83543836, "e_wo_entrp": -8.83617851, "e_0_energy": -8.83568507}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}}], "efermi": 5.86594827, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "energy": -8.83568507, "energy_per_atom": -8.83568507, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": 5.8659, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.001, "tot": 0.001}], "charge": [{"s": 0.355, "p": 6.238, "d": 3.005, "tot": 9.598}], "total_magnetization": 0.0012252, "nelect": 10.9999993, "is_stopped": false}}, "formula_pretty": "V", "composition_reduced": {"V": 1.0}, "composition_unit_cell": {"V": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "V1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-02-04-09-22-10-546124", "completed_at": "2016-02-04 05:58:56.245964", "task": {"type": "standard", "name": "standard"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "598cdbcb2824305fd14ccc00"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "598cdbcb2824305fd14ccc03"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 57356.0, "Elapsed time (sec)": 67.203, "System time (sec)": 9.591, "User time (sec)": 55.007, "Total CPU time used (sec)": 64.597, "cores": "32"}, "overall": {"Total CPU time used (sec)": 64.597, "User time (sec)": 55.007, "System time (sec)": 9.591, "Elapsed time (sec)": 67.203}}, "chemsys": "V", "formula_anonymous": "A", "formula_reduced_abc": "V1", "completed_at": "2016-02-04 05:58:56.245964", "nsites": 1, "composition_unit_cell": {"V": 1.0}, "composition_reduced": {"V": 1.0}, "formula_pretty": "V", "elements": ["V"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE V_pv 07Sep2000", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["V_pv"]}, "parameters": {"SYSTEM": "RubyVaspy :: V", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 598.473, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 12, "NELECT": 11.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [5.0], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 2e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 20, "NGY": 20, "NGZ": 20, "NGXF": 40, "NGYF": 40, "NGZF": 40, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [50.941], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 8.35545791, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "RubyVaspy :: V", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [5.0], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V", "properties": {"magmom": 0.001}}]}, "density": 6.0743780003827705, "energy": -8.83568507, "energy_per_atom": -8.83568507, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-02-04 05:58:56"}, "transformations": {}, "custodian": [{"corrections": [{"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["brmix"], "actions": [{"action": {"_set": {"generation_style": "Gamma"}}, "dict": "KPOINTS"}, {"action": {"_set": {"kpoints": [[23, 23, 23]]}}, "dict": "KPOINTS"}]}], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "LDAUPRINT": 1, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11", "ICHARG": 1}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": {"symbol": "Ru_pv", "hash": "7925f4d4b68076d70af7cd86eef9ba8d"}, "Re": {"symbol": "Re", "hash": "72385e193c92a8acfe17ea49004c2be1"}, "Rb": {"symbol": "Rb_pv", "hash": "e447c648d870b066b3514e6b800727ab"}, "Rh": {"symbol": "Rh", "hash": "2c3dba3fcc6058ca1b1cfa75e45084bc"}, "Be": {"symbol": "Be", "hash": "fb974e44d56a8c62c6bbd1a1eb70c3a7"}, "Ba": {"symbol": "Ba_sv", "hash": "c0477913afb63dfae3439f3534fbf0ed"}, "Bi": {"symbol": "Bi", "hash": "e29661c79d59abae3b3ba69eae24b1a5"}, "Br": {"symbol": "Br", "hash": "40f9594b4506684a69158c8975cfb9d6"}, "H": {"symbol": "H", "hash": "bb43c666e3d36577264afe07669e9582"}, "P": {"symbol": "P", "hash": "7dc3393307131ae67785a0cdacb61d5f"}, "Os": {"symbol": "Os", "hash": "35c2cb48d48a9c38c40fb82bbe70626d"}, "Ge": {"symbol": "Ge", "hash": "79e788788c31e196a460553010512d3f"}, "Gd": {"symbol": "Gd", "hash": "1f0d42b1e5f6769d319d3f247992aeb9"}, "Ga": {"symbol": "Ga", "hash": "6e0b9d58412b1bfcd7252aff13d476c2"}, "Pr": {"symbol": "Pr", "hash": "92f191499bf5346ea652bb806350ad87"}, "Pt": {"symbol": "Pt", "hash": "a604ea3c6a9cc23c739b762f625cf449"}, "Pu": {"symbol": "Pu", "hash": "f1d01e845dccc52d448679911f301a73"}, "C": {"symbol": "C", "hash": "c0a8167dbb174fe492a3db7f5006c0f8"}, "Pb": {"symbol": "Pb", "hash": "704c2c967247d7f84090d2536c91877d"}, "Pa": {"symbol": "Pa", "hash": "a1fdb1089d0727f415416ec8082246ba"}, "Pd": {"symbol": "Pd", "hash": "a395eb3aaf2fcab12fac3030a1146f61"}, "Cd": {"symbol": "Cd", "hash": "0506b2d0ac28d5fe2b5ced77a701aa86"}, "Pm": {"symbol": "Pm", "hash": "a2c9485ea86b2a7cf175077e6e5c7b3e"}, "Ho": {"symbol": "Ho_3", "hash": "661891464a27e87cf7e1324dd1893b77"}, "Hf": {"symbol": "Hf", "hash": "b113f150cbf9c736f8244a6c25b0482e"}, "Hg": {"symbol": "Hg", "hash": "c2f15dfb5fd53396c5427635e5019160"}, "He": {"symbol": "He", "hash": "47f9434aa3db96c85d7c4b3e4c2df09b"}, "Mg": {"symbol": "Mg", "hash": "1771eb72adbbfa6310d66e7517e49930"}, "K": {"symbol": "K_sv", "hash": "3e84f86d37f203a4fb01de36af57e430"}, "Mn": {"symbol": "Mn", "hash": "d082dba29b57ab59b3165e605dbf71b8"}, "O": {"symbol": "O", "hash": "7a25bc5b9a5393f46600a4939d357982"}, "S": {"symbol": "S", "hash": "d368db6899d8839859bbee4811a42a88"}, "W": {"symbol": "W_pv", "hash": "2a33e0d5c700640535f60ac0a12177ab"}, "Zn": {"symbol": "Zn", "hash": "e35ee27f8483a63bb68dbc236a343af3"}, "Eu": {"symbol": "Eu", "hash": "d466d046adf21f6146ee9644049ea268"}, "Zr": {"symbol": "Zr", "hash": "d221d2c0bac4f8e81af2f5c42a314274"}, "Er": {"symbol": "Er_3", "hash": "daa65a04877317f8c3c593ddeaa8a132"}, "Ni": {"symbol": "Ni", "hash": "653f5772e68b2c7fd87ffd1086c0d710"}, "Na": {"symbol": "Na", "hash": "1a89e79f7e21d99e8cf5788979f6a987"}, "Nb": {"symbol": "Nb_pv", "hash": "7bcee99a4dc3094be0f9fd7961c02966"}, "Nd": {"symbol": "Nd", "hash": "0c64e63070cee837c967283fffa001df"}, "Ne": {"symbol": "Ne", "hash": "52064eee378b9e37a295a674f1c278f0"}, "Np": {"symbol": "Np", "hash": "20cb30b714200c4db870550b288ac4cd"}, "Fe": {"symbol": "Fe", "hash": "9530da8244e4dac17580869b4adab115"}, "B": {"symbol": "B", "hash": "18ed2875dfa6305324cec3d7d59273ae"}, "F": {"symbol": "F", "hash": "180141c33d032bfbfff30b3bea9d23dd"}, "Sr": {"symbol": "Sr_sv", "hash": "ca6a5429c120a0ab705824386a76fe5b"}, "N": {"symbol": "N", "hash": "b98fd027ddebc67da4063ff2cabbc04b"}, "Kr": {"symbol": "Kr", "hash": "39b9b85ae3982e6c012fb549b2840ce5"}, "Si": {"symbol": "Si", "hash": "b2b0ea6feb62e7cde209616683b8f7f5"}, "Sn": {"symbol": "Sn_d", "hash": "849b0795e148f93113a06be8fd5f5001"}, "Sm": {"symbol": "Sm_3", "hash": "e5e274e7cd99602ca81d146155abdf88"}, "V": {"symbol": "V_pv", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}, "Sc": {"symbol": "Sc_sv", "hash": "dc386f505ad0c43385a7715b4111cb75"}, "Sb": {"symbol": "Sb", "hash": "d82c022b02fc5344e85bd1909f9ee3e7"}, "Se": {"symbol": "Se", "hash": "67a8804ede9f1112726e3d136978ef19"}, "Co": {"symbol": "Co", "hash": "b169bca4e137294d2ab3df8cbdd09083"}, "Cl": {"symbol": "Cl", "hash": "779b9901046c78fe51c5d80224642aeb"}, "Ca": {"symbol": "Ca_sv", "hash": "eb006721e214c04b3c13146e81b3a27d"}, "Ce": {"symbol": "Ce", "hash": "ff3a09f2ff91798e58eb4b9854e9be4a"}, "Xe": {"symbol": "Xe", "hash": "338472e581f58b41d37c002a5e22353b"}, "Tm": {"symbol": "Tm_3", "hash": "94a07cb7949b01305cb161da0cbfb492"}, "Cs": {"symbol": "Cs_sv", "hash": "096b53a7d80cc0086976bcda50d536e5"}, "Cr": {"symbol": "Cr", "hash": "82c14307937c7509fda4e9bc023d243d"}, "Cu": {"symbol": "Cu", "hash": "8ca4e43a30de0c397e51f16bbb20d678"}, "La": {"symbol": "La", "hash": "9b3ce03d18f7c0b40471a817ff91b287"}, "Li": {"symbol": "Li", "hash": "65e83282d1707ec078c1012afbd05be8"}, "Tl": {"symbol": "Tl", "hash": "2aa0d5406aaab7ebfbc761da382f1352"}, "Lu": {"symbol": "Lu_3", "hash": "d40a90babf1224b88ffb4c3273ac3848"}, "Th": {"symbol": "Th", "hash": "aea79f322180fa6f0bfa74cb2a156dcf"}, "Ti": {"symbol": "Ti", "hash": "c617e8b539c3f44a0ab6e8da2a92d318"}, "Te": {"symbol": "Te", "hash": "72719856e22fb1d3032df6f96d98a0f2"}, "Tb": {"symbol": "Tb_3", "hash": "0790955c547003956c0fd4f080f7f508"}, "Tc": {"symbol": "Tc", "hash": "9592642886319309a39d55c5717c6f48"}, "Ta": {"symbol": "Ta", "hash": "d4e2cfe9338ef80da592d5bb9dc782c7"}, "Yb": {"symbol": "Yb", "hash": "9f472bd422f640710f7d93e2d9ce89f4"}, "Dy": {"symbol": "Dy_3", "hash": "d4a05220ab0a2d4c03a76872ea724a1e"}, "I": {"symbol": "I", "hash": "f4ff16a495dd361ff5824ee61b418bb0"}, "U": {"symbol": "U", "hash": "72702eabbb1bc02b4167590dc848ed5d"}, "Y": {"symbol": "Y_sv", "hash": "4ed187e77cd54f198bb88020278b143d"}, "Ac": {"symbol": "Ac", "hash": "d6854224d20e3de6e6fd7399503791d1"}, "Ag": {"symbol": "Ag", "hash": "e8ffa02fe3f3a51338ac1ac91ae968b9"}, "Ir": {"symbol": "Ir", "hash": "dbcf7dcc6f4fb40df7b3d26904f60a66"}, "Al": {"symbol": "Al", "hash": "a6fd9a46aec185f4ad2acd0cbe4ae2fa"}, "As": {"symbol": "As", "hash": "8005364db225a254e52cba350bedd032"}, "Ar": {"symbol": "Ar", "hash": "e782fc6292623b396091bf8b871c272f"}, "Au": {"symbol": "Au", "hash": "a9182d436a13194b744640ac940ab9b0"}, "In": {"symbol": "In", "hash": "7df38c0cdb4e6d9a9b93f09d690bb3ae"}, "Mo": {"symbol": "Mo_pv", "hash": "84e18fd84a98e3d7fa8f055952410df0"}}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vasp.sets"}, "gamma_vasp_cmd": ["srun", "-n", "32", "gvasp"], "vasp_cmd": ["srun", "-n", "32", "vasp"], "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 1.909544, 1.909544], [1.909544, 0.0, 1.909544], [1.909544, 1.909544, 0.0]], "a": 2.7005030227481694, "b": 2.7005030227481694, "c": 2.7005030227481694, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 13.92576318115692}, "sites": [{"species": [{"element": "V", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "V"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "V1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LMAXTAU": 0, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LRHFATM": false, "LVHAR": true, "LWAVE": false, "MAGMOM": [5], "METAGGA": "--", "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: v", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["V_pv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[22, 22, 22]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-990848", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}, {"_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "5bc794ca2e927b78dbe4c7d1"}, "dir_name": "mc0848.nersc.gov:/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-02-04-09-22-51-240536", "schema": {"code": "atomate", "version": 0.2}, "calcs_reversed": [{"vasp_version": "5.2.2", "has_vasp_completed": true, "nsites": 1, "elements": ["Li"], "nelements": 1, "run_type": "GGA", "input": {"incar": {"SYSTEM": "RubyVaspy :: Li", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}, "kpoints": {"comment": "Kpoints from vasprun.xml", "nkpoints": 0, "generation_style": "Gamma", "kpoints": [[21, 21, 21]], "usershift": [0.0, 0.0, 0.0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "genvec1": [0.04761905, 0.0, 0.0], "genvec2": [0.0, 0.04761905, 0.0], "genvec3": [0.0, 0.0, 0.04761905], "shift": [0.0, 0.0, 0.0], "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints", "actual_points": [{"abc": [0.0, 0.0, 0.0], "weight": 0.00010798}, {"abc": [0.04761905, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.0952381, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.14285714, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.19047619, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.23809524, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.28571429, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.33333333, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.38095238, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.42857143, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.47619048, 0.0, 0.0], "weight": 0.00086384}, {"abc": [0.04761905, 0.04761905, 0.0], "weight": 0.00064788}, {"abc": [0.0952381, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.14285714, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.19047619, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.23809524, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.28571429, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.33333333, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.38095238, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.42857143, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.33333333, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.28571429, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.23809524, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.19047619, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.14285714, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.0952381, 0.04761905, 0.0], "weight": 0.00259151}, {"abc": [-0.04761905, 0.04761905, 0.0], "weight": 0.00129576}, {"abc": [0.0952381, 0.0952381, 0.0], "weight": 0.00064788}, {"abc": [0.14285714, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.19047619, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.23809524, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.28571429, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.33333333, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.38095238, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.42857143, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.33333333, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.28571429, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.23809524, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.19047619, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.14285714, 0.0952381, 0.0], "weight": 0.00259151}, {"abc": [-0.0952381, 0.0952381, 0.0], "weight": 0.00129576}, {"abc": [0.14285714, 0.14285714, 0.0], "weight": 0.00064788}, {"abc": [0.19047619, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.23809524, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.28571429, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.33333333, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.38095238, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.42857143, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.33333333, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.28571429, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.23809524, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.19047619, 0.14285714, 0.0], "weight": 0.00259151}, {"abc": [-0.14285714, 0.14285714, 0.0], "weight": 0.00129576}, {"abc": [0.19047619, 0.19047619, 0.0], "weight": 0.00064788}, {"abc": [0.23809524, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [0.28571429, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [0.33333333, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [0.38095238, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [0.42857143, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [-0.33333333, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [-0.28571429, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [-0.23809524, 0.19047619, 0.0], "weight": 0.00259151}, {"abc": [-0.19047619, 0.19047619, 0.0], "weight": 0.00129576}, {"abc": [0.23809524, 0.23809524, 0.0], "weight": 0.00064788}, {"abc": [0.28571429, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [0.33333333, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [0.38095238, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [0.42857143, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [-0.33333333, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [-0.28571429, 0.23809524, 0.0], "weight": 0.00259151}, {"abc": [-0.23809524, 0.23809524, 0.0], "weight": 0.00129576}, {"abc": [0.28571429, 0.28571429, 0.0], "weight": 0.00064788}, {"abc": [0.33333333, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [0.38095238, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [0.42857143, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [-0.33333333, 0.28571429, 0.0], "weight": 0.00259151}, {"abc": [-0.28571429, 0.28571429, 0.0], "weight": 0.00129576}, {"abc": [0.33333333, 0.33333333, 0.0], "weight": 0.00064788}, {"abc": [0.38095238, 0.33333333, 0.0], "weight": 0.00259151}, {"abc": [0.42857143, 0.33333333, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.33333333, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.33333333, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.33333333, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.33333333, 0.0], "weight": 0.00259151}, {"abc": [-0.33333333, 0.33333333, 0.0], "weight": 0.00129576}, {"abc": [0.38095238, 0.38095238, 0.0], "weight": 0.00064788}, {"abc": [0.42857143, 0.38095238, 0.0], "weight": 0.00259151}, {"abc": [0.47619048, 0.38095238, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.38095238, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.38095238, 0.0], "weight": 0.00259151}, {"abc": [-0.38095238, 0.38095238, 0.0], "weight": 0.00129576}, {"abc": [0.42857143, 0.42857143, 0.0], "weight": 0.00064788}, {"abc": [0.47619048, 0.42857143, 0.0], "weight": 0.00259151}, {"abc": [-0.47619048, 0.42857143, 0.0], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.0], "weight": 0.00129576}, {"abc": [0.47619048, 0.47619048, 0.0], "weight": 0.00064788}, {"abc": [-0.47619048, 0.47619048, 0.0], "weight": 0.00129576}, {"abc": [0.14285714, 0.0952381, 0.04761905], "weight": 0.00259151}, {"abc": [0.19047619, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.23809524, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.28571429, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.33333333, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.38095238, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.42857143, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.47619048, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, 0.0952381, 0.04761905], "weight": 0.00518303}, {"abc": [0.19047619, 0.14285714, 0.04761905], "weight": 0.00259151}, {"abc": [0.23809524, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.28571429, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.33333333, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.38095238, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.42857143, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [0.47619048, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.19047619, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.14285714, 0.14285714, 0.04761905], "weight": 0.00518303}, {"abc": [-0.0952381, 0.14285714, 0.04761905], "weight": 0.00259151}, {"abc": [0.23809524, 0.19047619, 0.04761905], "weight": 0.00259151}, {"abc": [0.28571429, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.33333333, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.38095238, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.42857143, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [0.47619048, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.19047619, 0.19047619, 0.04761905], "weight": 0.00518303}, {"abc": [-0.14285714, 0.19047619, 0.04761905], "weight": 0.00259151}, {"abc": [0.28571429, 0.23809524, 0.04761905], "weight": 0.00259151}, {"abc": [0.33333333, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [0.38095238, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [0.42857143, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [0.47619048, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.23809524, 0.04761905], "weight": 0.00518303}, {"abc": [-0.19047619, 0.23809524, 0.04761905], "weight": 0.00259151}, {"abc": [0.33333333, 0.28571429, 0.04761905], "weight": 0.00259151}, {"abc": [0.38095238, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [0.42857143, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [0.47619048, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.28571429, 0.04761905], "weight": 0.00518303}, {"abc": [-0.23809524, 0.28571429, 0.04761905], "weight": 0.00259151}, {"abc": [0.38095238, 0.33333333, 0.04761905], "weight": 0.00259151}, {"abc": [0.42857143, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [0.47619048, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.33333333, 0.04761905], "weight": 0.00518303}, {"abc": [-0.28571429, 0.33333333, 0.04761905], "weight": 0.00259151}, {"abc": [0.42857143, 0.38095238, 0.04761905], "weight": 0.00259151}, {"abc": [0.47619048, 0.38095238, 0.04761905], "weight": 0.00518303}, {"abc": [-0.47619048, 0.38095238, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.38095238, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.38095238, 0.04761905], "weight": 0.00518303}, {"abc": [-0.33333333, 0.38095238, 0.04761905], "weight": 0.00259151}, {"abc": [0.47619048, 0.42857143, 0.04761905], "weight": 0.00259151}, {"abc": [-0.47619048, 0.42857143, 0.04761905], "weight": 0.00518303}, {"abc": [-0.42857143, 0.42857143, 0.04761905], "weight": 0.00518303}, {"abc": [-0.38095238, 0.42857143, 0.04761905], "weight": 0.00259151}, {"abc": [-0.47619048, 0.47619048, 0.04761905], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.04761905], "weight": 0.00259151}, {"abc": [0.28571429, 0.19047619, 0.0952381], "weight": 0.00259151}, {"abc": [0.33333333, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [0.38095238, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [0.42857143, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [0.47619048, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [-0.47619048, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [-0.42857143, 0.19047619, 0.0952381], "weight": 0.00518303}, {"abc": [0.33333333, 0.23809524, 0.0952381], "weight": 0.00259151}, {"abc": [0.38095238, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [0.42857143, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [0.47619048, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.47619048, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.42857143, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.28571429, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.23809524, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.19047619, 0.23809524, 0.0952381], "weight": 0.00518303}, {"abc": [-0.14285714, 0.23809524, 0.0952381], "weight": 0.00259151}, {"abc": [0.38095238, 0.28571429, 0.0952381], "weight": 0.00259151}, {"abc": [0.42857143, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [0.47619048, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.47619048, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.42857143, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.28571429, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.23809524, 0.28571429, 0.0952381], "weight": 0.00518303}, {"abc": [-0.19047619, 0.28571429, 0.0952381], "weight": 0.00259151}, {"abc": [0.42857143, 0.33333333, 0.0952381], "weight": 0.00259151}, {"abc": [0.47619048, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.47619048, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.42857143, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.28571429, 0.33333333, 0.0952381], "weight": 0.00518303}, {"abc": [-0.23809524, 0.33333333, 0.0952381], "weight": 0.00259151}, {"abc": [0.47619048, 0.38095238, 0.0952381], "weight": 0.00259151}, {"abc": [-0.47619048, 0.38095238, 0.0952381], "weight": 0.00518303}, {"abc": [-0.42857143, 0.38095238, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, 0.38095238, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, 0.38095238, 0.0952381], "weight": 0.00518303}, {"abc": [-0.28571429, 0.38095238, 0.0952381], "weight": 0.00259151}, {"abc": [-0.47619048, 0.42857143, 0.0952381], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.0952381], "weight": 0.00518303}, {"abc": [-0.38095238, 0.42857143, 0.0952381], "weight": 0.00518303}, {"abc": [-0.33333333, 0.42857143, 0.0952381], "weight": 0.00259151}, {"abc": [-0.42857143, 0.47619048, 0.0952381], "weight": 0.00259151}, {"abc": [-0.38095238, 0.47619048, 0.0952381], "weight": 0.00259151}, {"abc": [0.42857143, 0.28571429, 0.14285714], "weight": 0.00259151}, {"abc": [0.47619048, 0.28571429, 0.14285714], "weight": 0.00518303}, {"abc": [-0.47619048, 0.28571429, 0.14285714], "weight": 0.00518303}, {"abc": [-0.42857143, 0.28571429, 0.14285714], "weight": 0.00518303}, {"abc": [-0.38095238, 0.28571429, 0.14285714], "weight": 0.00518303}, {"abc": [0.47619048, 0.33333333, 0.14285714], "weight": 0.00259151}, {"abc": [-0.47619048, 0.33333333, 0.14285714], "weight": 0.00518303}, {"abc": [-0.42857143, 0.33333333, 0.14285714], "weight": 0.00518303}, {"abc": [-0.38095238, 0.33333333, 0.14285714], "weight": 0.00518303}, {"abc": [-0.33333333, 0.33333333, 0.14285714], "weight": 0.00518303}, {"abc": [-0.28571429, 0.33333333, 0.14285714], "weight": 0.00518303}, {"abc": [-0.23809524, 0.33333333, 0.14285714], "weight": 0.00518303}, {"abc": [-0.19047619, 0.33333333, 0.14285714], "weight": 0.00259151}, {"abc": [-0.47619048, 0.38095238, 0.14285714], "weight": 0.00259151}, {"abc": [-0.42857143, 0.38095238, 0.14285714], "weight": 0.00518303}, {"abc": [-0.38095238, 0.38095238, 0.14285714], "weight": 0.00518303}, {"abc": [-0.33333333, 0.38095238, 0.14285714], "weight": 0.00518303}, {"abc": [-0.28571429, 0.38095238, 0.14285714], "weight": 0.00518303}, {"abc": [-0.23809524, 0.38095238, 0.14285714], "weight": 0.00259151}, {"abc": [-0.42857143, 0.42857143, 0.14285714], "weight": 0.00259151}, {"abc": [-0.38095238, 0.42857143, 0.14285714], "weight": 0.00518303}, {"abc": [-0.33333333, 0.42857143, 0.14285714], "weight": 0.00518303}, {"abc": [-0.28571429, 0.42857143, 0.14285714], "weight": 0.00259151}, {"abc": [-0.38095238, 0.47619048, 0.14285714], "weight": 0.00259151}, {"abc": [-0.33333333, 0.47619048, 0.14285714], "weight": 0.00259151}, {"abc": [-0.42857143, 0.38095238, 0.19047619], "weight": 0.00259151}, {"abc": [-0.38095238, 0.38095238, 0.19047619], "weight": 0.00518303}, {"abc": [-0.33333333, 0.38095238, 0.19047619], "weight": 0.00518303}, {"abc": [-0.38095238, 0.42857143, 0.19047619], "weight": 0.00259151}, {"abc": [-0.33333333, 0.42857143, 0.19047619], "weight": 0.00518303}, {"abc": [-0.28571429, 0.42857143, 0.19047619], "weight": 0.00518303}, {"abc": [-0.23809524, 0.42857143, 0.19047619], "weight": 0.00259151}, {"abc": [-0.33333333, 0.47619048, 0.19047619], "weight": 0.00259151}, {"abc": [-0.28571429, 0.47619048, 0.19047619], "weight": 0.00259151}, {"abc": [-0.28571429, 0.47619048, 0.23809524], "weight": 0.00259151}]}, "potcar": ["Li_sv"], "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "potcar_type": ["PAW_PBE"], "parameters": {"SYSTEM": "RubyVaspy :: Li", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 6, "NELECT": 3.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 5e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.12921461, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "lattice_rec": {"@module": "pymatgen.core.lattice", "@class": "Lattice", "matrix": [[-1.4530014955506088, 1.4530014955506088, 1.4530014955506088], [1.4530014955506088, -1.4530014955506088, 1.4530014955506088], [1.4530014955506088, 1.4530014955506088, -1.4530014955506088]]}, "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}}, "output": {"ionic_steps": [{"e_fr_energy": -1.90512083, "e_wo_entrp": -1.90486455, "e_0_energy": -0.00076884, "forces": [[0.0, 0.0, 0.0]], "stress": [[-0.42401726, -0.0, -0.0], [0.0, -0.42401726, 0.0], [-0.0, -0.0, -0.42401726]], "electronic_steps": [{"alphaZ": 4.10138823, "ewald": -68.70384693, "hartreedc": -32.54291685, "XCdc": 10.94734923, "pawpsdc": 56.94305672, "pawaedc": -80.65727742, "eentropy": 0.00027995, "bandstr": -93.32393011, "atom": 202.78382624, "e_fr_energy": -0.45207096, "e_wo_entrp": -0.45235091, "e_0_energy": -0.45216427}, {"e_fr_energy": -1.59132238, "e_wo_entrp": -1.59175346, "e_0_energy": -1.59146607}, {"e_fr_energy": -1.5975204, "e_wo_entrp": -1.59796633, "e_0_energy": -1.59766904}, {"e_fr_energy": -1.59755917, "e_wo_entrp": -1.59800515, "e_0_energy": -1.59770783}, {"e_fr_energy": -1.59755952, "e_wo_entrp": -1.5980055, "e_0_energy": -1.59770818}, {"e_fr_energy": -1.83813142, "e_wo_entrp": -1.83740537, "e_0_energy": -1.8378894}, {"e_fr_energy": -1.90356631, "e_wo_entrp": -1.90283745, "e_0_energy": -1.90332336}, {"e_fr_energy": -1.90458146, "e_wo_entrp": -1.90381647, "e_0_energy": -1.90432647}, {"e_fr_energy": -1.90505469, "e_wo_entrp": -1.90428922, "e_0_energy": -1.90479953}, {"e_fr_energy": -1.90511493, "e_wo_entrp": -1.90434723, "e_0_energy": -1.90485903}, {"e_fr_energy": -1.90512069, "e_wo_entrp": -1.90435186, "e_0_energy": -1.90486441}, {"alphaZ": 4.10138823, "ewald": -68.70384693, "hartreedc": -32.10527278, "XCdc": 10.83723104, "pawpsdc": 60.78857274, "pawaedc": -84.5603952, "eentropy": -0.00076884, "bandstr": -95.04585532, "atom": 202.78382624, "e_fr_energy": -1.90512083, "e_wo_entrp": -1.90435198, "e_0_energy": -1.90486455}], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}}], "efermi": -0.24938308, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "epsilon_static": [], "epsilon_static_wolfe": [], "epsilon_ionic": [], "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "energy": -1.90486455, "energy_per_atom": -1.90486455, "is_metal": true, "outcar": {"@module": "pymatgen.io.vasp.outputs", "@class": "Outcar", "efermi": -0.2494, "magnetization": [{"s": 0.0, "p": 0.0, "d": 0.0, "tot": 0.0}], "charge": [{"s": 2.106, "p": 0.107, "d": 0.0, "tot": 2.213}], "total_magnetization": 0.0001005, "nelect": 3.0, "is_stopped": false}}, "formula_pretty": "Li", "composition_reduced": {"Li": 1.0}, "composition_unit_cell": {"Li": 1.0}, "formula_anonymous": "A", "formula_reduced_abc": "Li1", "dir_name": "/global/projecta/projectdirs/matgen/garden/block_2015-12-06-01-06-43-349785/launcher_2016-02-04-09-22-51-240536", "completed_at": "2016-02-04 06:03:27.338588", "task": {"type": "standard", "name": "standard"}, "output_file_paths": {"chgcar": "CHGCAR.gz", "aeccar0": "AECCAR0.gz", "aeccar1": "AECCAR1.gz", "aeccar2": "AECCAR2.gz", "wavecar": "WAVECAR.gz", "procar": "PROCAR.gz"}, "dos_compression": "zlib", "dos_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59dd1fe70c1a121b71a8708f"}, "bandstructure_compression": "zlib", "bandstructure_fs_id": {"@module": "bson.objectid", "@class": "ObjectId", "oid": "59dd1fe70c1a121b71a87092"}}], "run_stats": {"standard": {"Average memory used (kb)": 0.0, "Maximum memory used (kb)": 53716.0, "Elapsed time (sec)": 28.384, "System time (sec)": 4.66, "User time (sec)": 22.038, "Total CPU time used (sec)": 26.698, "cores": "32"}, "overall": {"Total CPU time used (sec)": 26.698, "User time (sec)": 22.038, "System time (sec)": 4.66, "Elapsed time (sec)": 28.384}}, "chemsys": "Li", "formula_anonymous": "A", "formula_reduced_abc": "Li1", "completed_at": "2016-02-04 06:03:27.338588", "nsites": 1, "composition_unit_cell": {"Li": 1.0}, "composition_reduced": {"Li": 1.0}, "formula_pretty": "Li", "elements": ["Li"], "nelements": 1, "input": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "is_hubbard": false, "hubbards": {}, "is_lasph": false, "potcar_spec": [{"titel": "PAW_PBE Li_sv 23Jan2001", "hash": "4799bab014a83a07c654d7196c8ecfa9"}], "xc_override": null, "pseudo_potential": {"functional": "pbe", "pot_type": "paw", "labels": ["Li_sv"]}, "parameters": {"SYSTEM": "RubyVaspy :: Li", "LCOMPAT": false, "PREC": "accura", "ENMAX": 520.0, "ENAUG": 428.394, "EDIFF": 1e-06, "IALGO": 38, "IWAVPR": 10, "NBANDS": 6, "NELECT": 3.0, "ISMEAR": 1, "SIGMA": 0.2, "LREAL": true, "ROPT": [-0.00025], "LMAXPAW": -100, "LMAXMIX": 2, "ISTART": 0, "ICHARG": 2, "INIWAV": 1, "ISPIN": 2, "LNONCOLLINEAR": false, "MAGMOM": [0.6], "NUPDOWN": -1.0, "LSORBIT": false, "SAXIS": [0.0, 0.0, 1.0], "LSPIRAL": false, "QSPIRAL": [0.0, 0.0, 0.0], "LZEROZ": false, "LASPH": false, "LMETAGGA": false, "NELM": 100, "NELMDL": 0, "NELMIN": 3, "ENINI": 520.0, "LDIAG": true, "WEIMIN": 0.0, "EBREAK": 5e-08, "DEPER": 0.3, "NRMM": 4, "TIME": 0.4, "AMIX": 0.4, "BMIX": 1.0, "AMIN": 0.1, "AMIX_MAG": 1.6, "BMIX_MAG": 1.0, "IMIX": 4, "MAXMIX": -45, "WC": 100.0, "INIMIX": 1, "MIXPRE": 1, "MREMOVE": 5, "LDIPOL": false, "LMONO": false, "IDIPOL": 0, "EPSILON": 1.0, "DIPOL": [-100.0, -100.0, -100.0], "EFIELD": 0.0, "NGX": 24, "NGY": 24, "NGZ": 24, "NGXF": 48, "NGYF": 48, "NGZF": 48, "ADDGRID": false, "NSW": 0, "IBRION": -1, "ISIF": 3, "PSTRESS": 0.0, "EDIFFG": 1e-05, "NFREE": 0, "POTIM": 0.5, "SMASS": -3.0, "TEBEG": 0.0001, "TEEND": 0.0001, "NBLOCK": 1, "KBLOCK": 1, "NPACO": 256, "APACO": 16.0, "ISYM": 2, "SYMPREC": 1e-05, "LORBIT": false, "RWIGS": [-1.0], "NEDOS": 301, "EMIN": 10.0, "EMAX": -10.0, "EFERMI": 0.0, "NWRITE": 2, "LWAVE": false, "LCHARG": true, "LPARD": false, "LVTOT": false, "LELF": false, "LOPTICS": false, "STM": [0.0, 0.0, 0.0, 0.0, 0.0], "NPAR": 2, "NSIM": 4, "NBLK": 32, "LPLANE": true, "LSCALAPACK": false, "LSCAAWARE": false, "LSCALU": false, "LASYNC": false, "IDIOT": 3, "LMUSIC": false, "POMASS": [7.01], "LCORR": true, "LREAL_COMPAT": false, "GGA_COMPAT": true, "LBERRY": false, "ICORELEVEL": 0, "LDAU": false, "I_CONSTRAINED_M": 0, "GGA": "--", "VOSKOWN": 0, "LHFCALC": false, "LHFONE": false, "LRHFCALC": false, "LTHOMAS": false, "LMODELHF": false, "ENCUTFOCK": 0.0, "ENCUT4O": -1.0, "EXXOEP": 0, "FOURORBIT": 0, "AEXX": 0.0, "HFALPHA": 0.0, "ALDAX": 1.0, "AGGAX": 1.0, "ALDAC": 1.0, "AGGAC": 1.0, "NKREDX": 1, "NKREDY": 1, "NKREDZ": 1, "SHIFTRED": false, "ODDONLY": false, "EVENONLY": false, "LMAXFOCK": 0, "NMAXFOCKAE": 0, "HFSCREEN": 0.0, "HFSCREENC": 0.0, "MODEL_GW": 0, "MODEL_EPS0": 12.12921461, "MODEL_ALPHA": 1.0, "LEPSILON": false, "LRPA": false, "LNABLA": false, "LVEL": false, "KINTER": 0, "CSHIFT": 0.1, "OMEGAMAX": -1.0, "ORBITALMAG": false, "LMAGBLOCH": false, "LCHIMAG": false, "LGAUGE": true, "MAGATOM": 0, "MAGDIPOL": [0.0, 0.0, 0.0], "AVECCONST": [0.0, 0.0, 0.0], "LTCTE": false, "LTETE": false, "L2ORDER": false, "LGWLF": false, "ENCUTGW": 346.66666667, "ENCUTGWSOFT": -2.0, "ENCUTLF": -1.0, "LMAXMP2": -1, "SCISSOR": 0.0, "NOMEGA": 0, "NOMEGAR": 0, "NBANDSGW": -1, "NBANDSLF": -1, "DIM": 3, "ANTIRES": 0, "LUSEW": false, "OMEGATL": -200.0, "OMEGAGRID": 0, "SELFENERGY": false, "LSPECTRAL": false, "ODDONLYGW": false, "EVENONLYGW": false, "NKREDLFX": 1, "NKREDLFY": 1, "NKREDLFZ": 1, "MAXMEM": 1024, "TELESCOPE": 0}, "incar": {"SYSTEM": "RubyVaspy :: Li", "PREC": "accurate", "ALGO": "Normal", "ISPIN": 2, "ICHARG": 0, "NELM": 100, "NELMIN": 3, "IBRION": -1, "EDIFF": 1e-06, "NSW": 0, "ISIF": 3, "ENCUT": 520.0, "MAGMOM": [0.6], "LREAL": "AUTO", "ISMEAR": 1, "SIGMA": 0.2, "LWAVE": false, "LCHARG": true, "LORBIT": false, "LAECHG": true, "LPEAD": false, "LCALCPOL": false, "LCALCEPS": false, "EFIELD_PEAD": [0.0, 0.0, 0.0], "LEFG": false}}, "output": {"structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li", "properties": {"magmom": 0.0}}]}, "density": 0.5701507567570879, "energy": -1.90486455, "energy_per_atom": -1.90486455, "bandgap": 0.0, "cbm": null, "vbm": null, "is_gap_direct": false, "is_metal": true, "spacegroup": {"source": "spglib", "symbol": "Fm-3m", "number": 225, "point_group": "m-3m", "crystal_system": "cubic", "hall": "-F 4 2 3"}}, "state": "successful", "analysis": {"delta_volume": 0.0, "delta_volume_percent": 0.0, "max_force": null, "warnings": [], "errors": []}, "last_updated": {"@module": "datetime", "@class": "datetime", "string": "2016-02-04 06:03:27"}, "transformations": {}, "custodian": [{"corrections": [{"handler": {"output_filename": "vasp.out", "@class": "VaspErrorHandler", "@module": "custodian.vasp.handlers"}, "errors": ["brmix"], "actions": [{"action": {"_set": {"generation_style": "Gamma"}}, "dict": "KPOINTS"}, {"action": {"_set": {"kpoints": [[21, 21, 21]]}}, "dict": "KPOINTS"}]}], "job": {"settings_override": null, "suffix": "", "auto_gamma": true, "output_file": "vasp.out", "auto_npar": false, "@module": "custodian.vasp.jobs", "default_vasp_input_set": {"sort_structure": true, "hubbard_off": false, "potcar_functional": null, "constrain_total_magmom": false, "name": "MIT", "config_dict": {"INCAR": {"NELM": 100, "IBRION": 2, "LDAUTYPE": 2, "LWAVE": false, "SIGMA": 0.05, "LDAUPRINT": 1, "MAGMOM": {"Ni": 2, "Mn4+": 3, "Co": 5, "Ni3+": 1, "Mo": 5, "Mn": 5, "Co3+": 0.6, "Fe3+": 5, "Co4+": 1, "Mn2+": 5, "Fe": 5, "W": 5, "Mn3+": 4, "Ni4+": 0.6, "Cr": 5, "V": 5, "Fe4+": 4, "Fe2+": 4, "Ta": 5}, "NELMIN": 6, "LDAUL": {"S": {"Mn": 2.5, "Fe": 2}, "O": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}, "F": {"Ni": 2, "Co": 2, "Ag": 2, "Mo": 2, "Mn": 2, "Re": 2, "Fe": 2, "W": 2, "V": 2, "Cr": 2, "Nb": 2, "Cu": 2, "Ta": 2}}, "LDAUJ": {"S": {"Mn": 0, "Fe": 0}, "O": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}, "F": {"Ni": 0, "Co": 0, "Ag": 0, "Mo": 0, "Mn": 0, "Re": 0, "Fe": 0, "W": 0, "V": 0, "Cr": 0, "Nb": 0, "Cu": 0, "Ta": 0}}, "ENCUT": 520, "ISIF": 3, "LDAUU": {"S": {"Mn": 2.5, "Fe": 1.9}, "O": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}, "F": {"Ni": 6, "Co": 3.4, "Ag": 1.5, "Mo": 4.38, "Mn": 3.9, "Re": 2, "Fe": 4.0, "W": 4.0, "V": 3.1, "Cr": 3.5, "Nb": 1.5, "Cu": 4, "Ta": 2}}, "EDIFF": 5e-05, "NSW": 99, "LREAL": "AUTO", "ISMEAR": -5, "PREC": "Accurate", "LDAU": true, "ALGO": "FAST", "ISPIN": 2, "LORBIT": "11", "ICHARG": 1}, "KPOINTS": {"grid_density": 1000}, "POTCAR": {"Ru": {"symbol": "Ru_pv", "hash": "7925f4d4b68076d70af7cd86eef9ba8d"}, "Re": {"symbol": "Re", "hash": "72385e193c92a8acfe17ea49004c2be1"}, "Rb": {"symbol": "Rb_pv", "hash": "e447c648d870b066b3514e6b800727ab"}, "Rh": {"symbol": "Rh", "hash": "2c3dba3fcc6058ca1b1cfa75e45084bc"}, "Be": {"symbol": "Be", "hash": "fb974e44d56a8c62c6bbd1a1eb70c3a7"}, "Ba": {"symbol": "Ba_sv", "hash": "c0477913afb63dfae3439f3534fbf0ed"}, "Bi": {"symbol": "Bi", "hash": "e29661c79d59abae3b3ba69eae24b1a5"}, "Br": {"symbol": "Br", "hash": "40f9594b4506684a69158c8975cfb9d6"}, "H": {"symbol": "H", "hash": "bb43c666e3d36577264afe07669e9582"}, "P": {"symbol": "P", "hash": "7dc3393307131ae67785a0cdacb61d5f"}, "Os": {"symbol": "Os", "hash": "35c2cb48d48a9c38c40fb82bbe70626d"}, "Ge": {"symbol": "Ge", "hash": "79e788788c31e196a460553010512d3f"}, "Gd": {"symbol": "Gd", "hash": "1f0d42b1e5f6769d319d3f247992aeb9"}, "Ga": {"symbol": "Ga", "hash": "6e0b9d58412b1bfcd7252aff13d476c2"}, "Pr": {"symbol": "Pr", "hash": "92f191499bf5346ea652bb806350ad87"}, "Pt": {"symbol": "Pt", "hash": "a604ea3c6a9cc23c739b762f625cf449"}, "Pu": {"symbol": "Pu", "hash": "f1d01e845dccc52d448679911f301a73"}, "C": {"symbol": "C", "hash": "c0a8167dbb174fe492a3db7f5006c0f8"}, "Pb": {"symbol": "Pb", "hash": "704c2c967247d7f84090d2536c91877d"}, "Pa": {"symbol": "Pa", "hash": "a1fdb1089d0727f415416ec8082246ba"}, "Pd": {"symbol": "Pd", "hash": "a395eb3aaf2fcab12fac3030a1146f61"}, "Cd": {"symbol": "Cd", "hash": "0506b2d0ac28d5fe2b5ced77a701aa86"}, "Pm": {"symbol": "Pm", "hash": "a2c9485ea86b2a7cf175077e6e5c7b3e"}, "Ho": {"symbol": "Ho_3", "hash": "661891464a27e87cf7e1324dd1893b77"}, "Hf": {"symbol": "Hf", "hash": "b113f150cbf9c736f8244a6c25b0482e"}, "Hg": {"symbol": "Hg", "hash": "c2f15dfb5fd53396c5427635e5019160"}, "He": {"symbol": "He", "hash": "47f9434aa3db96c85d7c4b3e4c2df09b"}, "Mg": {"symbol": "Mg", "hash": "1771eb72adbbfa6310d66e7517e49930"}, "K": {"symbol": "K_sv", "hash": "3e84f86d37f203a4fb01de36af57e430"}, "Mn": {"symbol": "Mn", "hash": "d082dba29b57ab59b3165e605dbf71b8"}, "O": {"symbol": "O", "hash": "7a25bc5b9a5393f46600a4939d357982"}, "S": {"symbol": "S", "hash": "d368db6899d8839859bbee4811a42a88"}, "W": {"symbol": "W_pv", "hash": "2a33e0d5c700640535f60ac0a12177ab"}, "Zn": {"symbol": "Zn", "hash": "e35ee27f8483a63bb68dbc236a343af3"}, "Eu": {"symbol": "Eu", "hash": "d466d046adf21f6146ee9644049ea268"}, "Zr": {"symbol": "Zr", "hash": "d221d2c0bac4f8e81af2f5c42a314274"}, "Er": {"symbol": "Er_3", "hash": "daa65a04877317f8c3c593ddeaa8a132"}, "Ni": {"symbol": "Ni", "hash": "653f5772e68b2c7fd87ffd1086c0d710"}, "Na": {"symbol": "Na", "hash": "1a89e79f7e21d99e8cf5788979f6a987"}, "Nb": {"symbol": "Nb_pv", "hash": "7bcee99a4dc3094be0f9fd7961c02966"}, "Nd": {"symbol": "Nd", "hash": "0c64e63070cee837c967283fffa001df"}, "Ne": {"symbol": "Ne", "hash": "52064eee378b9e37a295a674f1c278f0"}, "Np": {"symbol": "Np", "hash": "20cb30b714200c4db870550b288ac4cd"}, "Fe": {"symbol": "Fe", "hash": "9530da8244e4dac17580869b4adab115"}, "B": {"symbol": "B", "hash": "18ed2875dfa6305324cec3d7d59273ae"}, "F": {"symbol": "F", "hash": "180141c33d032bfbfff30b3bea9d23dd"}, "Sr": {"symbol": "Sr_sv", "hash": "ca6a5429c120a0ab705824386a76fe5b"}, "N": {"symbol": "N", "hash": "b98fd027ddebc67da4063ff2cabbc04b"}, "Kr": {"symbol": "Kr", "hash": "39b9b85ae3982e6c012fb549b2840ce5"}, "Si": {"symbol": "Si", "hash": "b2b0ea6feb62e7cde209616683b8f7f5"}, "Sn": {"symbol": "Sn_d", "hash": "849b0795e148f93113a06be8fd5f5001"}, "Sm": {"symbol": "Sm_3", "hash": "e5e274e7cd99602ca81d146155abdf88"}, "V": {"symbol": "V_pv", "hash": "7f1297a2e1d963e2a4d81b61f85e4ded"}, "Sc": {"symbol": "Sc_sv", "hash": "dc386f505ad0c43385a7715b4111cb75"}, "Sb": {"symbol": "Sb", "hash": "d82c022b02fc5344e85bd1909f9ee3e7"}, "Se": {"symbol": "Se", "hash": "67a8804ede9f1112726e3d136978ef19"}, "Co": {"symbol": "Co", "hash": "b169bca4e137294d2ab3df8cbdd09083"}, "Cl": {"symbol": "Cl", "hash": "779b9901046c78fe51c5d80224642aeb"}, "Ca": {"symbol": "Ca_sv", "hash": "eb006721e214c04b3c13146e81b3a27d"}, "Ce": {"symbol": "Ce", "hash": "ff3a09f2ff91798e58eb4b9854e9be4a"}, "Xe": {"symbol": "Xe", "hash": "338472e581f58b41d37c002a5e22353b"}, "Tm": {"symbol": "Tm_3", "hash": "94a07cb7949b01305cb161da0cbfb492"}, "Cs": {"symbol": "Cs_sv", "hash": "096b53a7d80cc0086976bcda50d536e5"}, "Cr": {"symbol": "Cr", "hash": "82c14307937c7509fda4e9bc023d243d"}, "Cu": {"symbol": "Cu", "hash": "8ca4e43a30de0c397e51f16bbb20d678"}, "La": {"symbol": "La", "hash": "9b3ce03d18f7c0b40471a817ff91b287"}, "Li": {"symbol": "Li", "hash": "65e83282d1707ec078c1012afbd05be8"}, "Tl": {"symbol": "Tl", "hash": "2aa0d5406aaab7ebfbc761da382f1352"}, "Lu": {"symbol": "Lu_3", "hash": "d40a90babf1224b88ffb4c3273ac3848"}, "Th": {"symbol": "Th", "hash": "aea79f322180fa6f0bfa74cb2a156dcf"}, "Ti": {"symbol": "Ti", "hash": "c617e8b539c3f44a0ab6e8da2a92d318"}, "Te": {"symbol": "Te", "hash": "72719856e22fb1d3032df6f96d98a0f2"}, "Tb": {"symbol": "Tb_3", "hash": "0790955c547003956c0fd4f080f7f508"}, "Tc": {"symbol": "Tc", "hash": "9592642886319309a39d55c5717c6f48"}, "Ta": {"symbol": "Ta", "hash": "d4e2cfe9338ef80da592d5bb9dc782c7"}, "Yb": {"symbol": "Yb", "hash": "9f472bd422f640710f7d93e2d9ce89f4"}, "Dy": {"symbol": "Dy_3", "hash": "d4a05220ab0a2d4c03a76872ea724a1e"}, "I": {"symbol": "I", "hash": "f4ff16a495dd361ff5824ee61b418bb0"}, "U": {"symbol": "U", "hash": "72702eabbb1bc02b4167590dc848ed5d"}, "Y": {"symbol": "Y_sv", "hash": "4ed187e77cd54f198bb88020278b143d"}, "Ac": {"symbol": "Ac", "hash": "d6854224d20e3de6e6fd7399503791d1"}, "Ag": {"symbol": "Ag", "hash": "e8ffa02fe3f3a51338ac1ac91ae968b9"}, "Ir": {"symbol": "Ir", "hash": "dbcf7dcc6f4fb40df7b3d26904f60a66"}, "Al": {"symbol": "Al", "hash": "a6fd9a46aec185f4ad2acd0cbe4ae2fa"}, "As": {"symbol": "As", "hash": "8005364db225a254e52cba350bedd032"}, "Ar": {"symbol": "Ar", "hash": "e782fc6292623b396091bf8b871c272f"}, "Au": {"symbol": "Au", "hash": "a9182d436a13194b744640ac940ab9b0"}, "In": {"symbol": "In", "hash": "7df38c0cdb4e6d9a9b93f09d690bb3ae"}, "Mo": {"symbol": "Mo_pv", "hash": "84e18fd84a98e3d7fa8f055952410df0"}}}, "@class": "DictVaspInputSet", "@module": "pymatgen.io.vasp.sets"}, "gamma_vasp_cmd": ["srun", "-n", "32", "gvasp"], "vasp_cmd": ["srun", "-n", "32", "vasp"], "backup": true, "final": true, "@class": "VaspJob"}}], "orig_inputs": {"poscar": {"@module": "pymatgen.io.vasp.inputs", "@class": "Poscar", "structure": {"@module": "pymatgen.core.structure", "@class": "Structure", "lattice": {"matrix": [[0.0, 2.16214, 2.16214], [2.16214, 0.0, 2.16214], [2.16214, 2.16214, 0.0]], "a": 3.0577277117493638, "b": 3.0577277117493638, "c": 3.0577277117493638, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 20.215357675216683}, "sites": [{"species": [{"element": "Li", "occu": 1}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Li"}]}, "true_names": true, "selective_dynamics": null, "velocities": null, "predictor_corrector": null, "comment": "Li1"}, "incar": {"ALGO": "Normal", "EDIFF": 1e-06, "EFIELD_PEAD": "0.0 0.0 0.0", "ENCUT": 520, "IBRION": -1, "ICHARG": 0, "ISIF": 3, "ISMEAR": 1, "ISPIN": 2, "LAECHG": true, "LCALCEPS": false, "LCALCPOL": false, "LCHARG": true, "LEFG": false, "LORBIT": 11, "LPEAD": false, "LREAL": "Auto", "LVHAR": true, "LWAVE": false, "MAGMOM": [0.6], "NELM": 100, "NELMIN": 3, "NPAR": 2, "NSW": 0, "PREC": "Accurate", "SIGMA": 0.2, "SYSTEM": "Rubyvaspy :: li", "@module": "pymatgen.io.vasp.inputs", "@class": "Incar"}, "potcar": {"functional": "PBE", "symbols": ["Li_sv"], "@module": "pymatgen.io.vasp.inputs", "@class": "Potcar"}, "kpoints": {"comment": "Automatic kpoint scheme", "nkpoints": 0, "generation_style": "Monkhorst", "kpoints": [[20, 20, 20]], "usershift": [0, 0, 0], "kpts_weights": null, "coord_type": null, "labels": null, "tet_number": 0, "tet_weight": 0, "tet_connections": null, "@module": "pymatgen.io.vasp.inputs", "@class": "Kpoints"}}, "task_id": "mp-990861", "task_type": "GGA Static", "tags": ["mp_2018", "mp_production_old", "prod"], "sbxn": ["basf", "core", "jcesr", "mkhorton", "shyamd", "vw"]}] diff --git a/tests/core/test_utils.py b/tests/core/test_utils.py index 8c6696e45..b9cba4603 100644 --- a/tests/core/test_utils.py +++ b/tests/core/test_utils.py @@ -4,6 +4,86 @@ import pytest from mp_api.client.core.exceptions import MPRestError +from mp_api.client.core.utils import LazyImport + + +def test_lazy_import_module(): + import_str = "typing" + lazy_mod = LazyImport(import_str) + assert lazy_mod._module_name == import_str + assert lazy_mod._class_name is None + assert lazy_mod.__repr__() == str(lazy_mod) + lazy_any = lazy_mod.Any + + from typing import Any + + assert lazy_any == Any + + # Ensure failure to load raises error + with pytest.raises(ImportError, match="Failed to import"): + _ = LazyImport("tieping")._load() + + +def test_lazy_import_function(): + import_str = "json.dumps" + lazy_func = LazyImport(import_str) + assert lazy_func._module_name == "json" + assert lazy_func._class_name == "dumps" + assert str(lazy_func) == f"LazyImport of {import_str}" + + jsonables = [ + {"apple": "pineapple", "banana": "orange"}, + [1, 2, 3, 4, 5], + [{"nothing": {"of": {"grand": "import"}}}], + ] + + dumped = [lazy_func(jsonable) for jsonable in jsonables] + + import json as _real_json + + assert lazy_func._imported == _real_json.dumps + assert all( + dumped[i] == _real_json.dumps(jsonable) for i, jsonable in enumerate(jsonables) + ) + + +def test_lazy_import_class(): + import_str = "pymatgen.core.Structure" + lazy_class = LazyImport(import_str) + assert lazy_class._module_name == "pymatgen.core" + assert lazy_class._class_name == "Structure" + assert str(lazy_class) == f"LazyImport of {import_str}" + + structure_str = """Si2 +1.0 + 3.3335729972004917 0.0000000000000000 1.9246389981090721 + 1.1111909992801432 3.1429239987499362 1.9246389992542632 + 0.0000000000000000 0.0000000000000000 3.8492780000000000 +Si +2 +direct + 0.8750000000000000 0.8750000000000000 0.8750000000000000 Si + 0.1250000000000000 0.1250000000000000 0.1250000000000000 Si""" + + # test construction from classmethod + struct_from_str = lazy_class.from_str(structure_str, fmt="poscar") + # test re-init + struct_from_init = lazy_class( + struct_from_str.lattice, struct_from_str.species, struct_from_str.frac_coords + ) + assert struct_from_str == struct_from_init + + from pymatgen.core.structure import Structure + + assert Structure.from_str(structure_str, fmt="poscar") == struct_from_str + + # ensure copy yields an independent object + lazy_copy = lazy_class.copy() + lazy_class( + struct_from_str.lattice, struct_from_str.species, struct_from_str.frac_coords + ) + assert lazy_copy._obj is None + assert lazy_class._obj == struct_from_str def test_emmet_core_version_checks(monkeypatch: pytest.MonkeyPatch): @@ -30,9 +110,9 @@ def test_id_validation(): from emmet.core.mpid import MPID, AlphaID from mp_api.client.core.utils import validate_ids - from mp_api.client.core.settings import MAPIClientSettings + from mp_api.client.core.settings import MAPI_CLIENT_SETTINGS - max_num_idxs = MAPIClientSettings().MAX_LIST_LENGTH + max_num_idxs = MAPI_CLIENT_SETTINGS.MAX_LIST_LENGTH with pytest.raises(MPRestError, match="too long"): _ = validate_ids([f"mp-{x}" for x in range(max_num_idxs + 1)]) diff --git a/tests/materials/test_doi.py b/tests/materials/test_doi.py index ecc47eed4..72240fbfb 100644 --- a/tests/materials/test_doi.py +++ b/tests/materials/test_doi.py @@ -1,4 +1,4 @@ -from mp_api.client.routes.materials import DOIRester +from mp_api.client.routes.materials.doi import DOIRester from ..conftest import client_search_testing, requires_api_key diff --git a/tests/materials/test_materials.py b/tests/materials/test_materials.py index 09e1e80d5..d6a10cabe 100644 --- a/tests/materials/test_materials.py +++ b/tests/materials/test_materials.py @@ -5,6 +5,7 @@ from emmet.core.symmetry import CrystalSystem from mp_api.client.routes.materials.materials import MaterialsRester +from mp_api.client.routes.materials import MATERIALS_RESTERS @pytest.fixture @@ -55,6 +56,10 @@ def rester(): def test_client(rester): search_method = rester.search + assert sorted(dir(rester)) == sorted( + dir(rester.__class__) + list(MATERIALS_RESTERS) + ) + client_search_testing( search_method=search_method, excluded_params=excluded_params, diff --git a/tests/molecules/test_jcesr.py b/tests/molecules/test_jcesr.py index 64ada4b90..d97aca919 100644 --- a/tests/molecules/test_jcesr.py +++ b/tests/molecules/test_jcesr.py @@ -48,3 +48,8 @@ def test_client(rester): custom_field_tests=custom_field_tests, sub_doc_fields=sub_doc_fields, ) + + +def test_warning(): + with pytest.warns(UserWarning, match="unmaintained legacy molecules"): + JcesrMoleculesRester() diff --git a/tests/molecules/test_molecules.py b/tests/molecules/test_molecules.py new file mode 100644 index 000000000..f1bdc8922 --- /dev/null +++ b/tests/molecules/test_molecules.py @@ -0,0 +1,20 @@ +"""Test basic molecules functionality. + +This class currently is non-functional, except as an access +point for other resters, therefore we include only basic tests here. +""" + +from mp_api.client.routes.molecules.molecules import BaseMoleculeRester, MoleculeRester +from mp_api.client.routes.molecules import MOLECULES_RESTERS + + +def test_molecule_rester(): + with MoleculeRester() as rester: + assert set(dir(rester)) == set( + dir(BaseMoleculeRester) + list(MOLECULES_RESTERS) + ) + + assert all( + getattr(rester, k)._class_name == lazy_obj._class_name + for k, lazy_obj in MOLECULES_RESTERS.items() + ) diff --git a/tests/test_client.py b/tests/test_client.py index ef1f6541e..dd94a910f 100644 --- a/tests/test_client.py +++ b/tests/test_client.py @@ -3,7 +3,8 @@ import pytest from mp_api.client import MPRester -from mp_api.client.routes.materials import TaskRester, ProvenanceRester +from mp_api.client.routes.materials.tasks import TaskRester +from mp_api.client.routes.materials.provenance import ProvenanceRester from .conftest import requires_api_key @@ -49,7 +50,9 @@ # Temporarily ignore molecules resters while molecules query operators are changed resters_to_test = [ - rester for rester in mpr._all_resters if "molecule" not in rester.suffix + rester + for rester in mpr._all_resters + if "molecule" not in rester._class_name.lower() ] @@ -57,7 +60,6 @@ @pytest.mark.parametrize("rester", resters_to_test) def test_generic_get_methods(rester): # -- Test generic search and get_data_by_id methods - name = rester.suffix.replace("/", "_") rester = rester( endpoint=mpr.endpoint, @@ -66,6 +68,8 @@ def test_generic_get_methods(rester): use_document_model=True, ) + name = rester.suffix.replace("/", "_") + docs_check = lambda _docs: all( rester.document_model.__module__ == _doc.__module__ for _doc in _docs ) diff --git a/tests/test_mprester.py b/tests/test_mprester.py index f497dc1ab..f85a621ac 100644 --- a/tests/test_mprester.py +++ b/tests/test_mprester.py @@ -2,6 +2,7 @@ import os import random import importlib +from tempfile import NamedTemporaryFile import numpy as np import pytest @@ -34,7 +35,6 @@ from mp_api.client import MPRester from mp_api.client.core import MPRestError, MPRestWarning -from mp_api.client.core.settings import MAPIClientSettings from .conftest import requires_api_key @@ -102,13 +102,47 @@ def test_get_structures(self, mpr): assert len(structs) > 0 def test_find_structure(self, mpr): - path = os.path.join(MAPIClientSettings().TEST_FILES, "Si_mp_149.cif") - data = mpr.find_structure(path) - assert isinstance(data, str) and data == "mp-149" - - s = CifParser(path).get_structures()[0] - data = mpr.find_structure(s) - assert isinstance(data, str) and data == "mp-149" + cif_str = """# mp-111 +data_Ne +_symmetry_space_group_name_H-M 'P 1' +_cell_length_a 2.96632550 +_cell_length_b 2.96632684 +_cell_length_c 2.96632748 +_cell_angle_alpha 60.00001414 +_cell_angle_beta 59.99999919 +_cell_angle_gamma 60.00001422 +_symmetry_Int_Tables_number 1 +_chemical_formula_structural Ne +_chemical_formula_sum Ne1 +_cell_volume 18.45618751 +_cell_formula_units_Z 1 +loop_ + _symmetry_equiv_pos_site_id + _symmetry_equiv_pos_as_xyz + 1 'x, y, z' +loop_ + _atom_site_type_symbol + _atom_site_label + _atom_site_symmetry_multiplicity + _atom_site_fract_x + _atom_site_fract_y + _atom_site_fract_z + _atom_site_occupancy + Ne Ne0 1 0.00000000 0.00000000 -0.00000000 1 +""" + temp_file = NamedTemporaryFile(suffix=".cif") + with open(temp_file.name, "wt") as f: + f.write(cif_str) + f.seek(0) + + for struct_or_path in ( + temp_file.name, + CifParser.from_str(cif_str).parse_structures(primitive=True)[0], + ): + data = mpr.find_structure(struct_or_path) + assert isinstance(data, str) and data == "mp-111" + + f.close() def test_get_bandstructure_by_material_id(self, mpr): bs = mpr.get_bandstructure_by_material_id("mp-149") @@ -129,7 +163,10 @@ def test_get_entry_by_material_id(self, mpr): def test_get_entries(self, mpr): syms = ["Li", "Fe", "O"] chemsys = "Li-Fe-O" - entries = mpr.get_entries(chemsys) + with pytest.warns( + UserWarning, match="The `inc_structure` argument is deprecated" + ): + entries = mpr.get_entries(chemsys, inc_structure=False) elements = {Element(sym) for sym in syms} for e in entries: @@ -328,6 +365,8 @@ def test_get_charge_density_from_material_id(self, mpr): assert isinstance(chgcar, Chgcar) assert isinstance(TaskDoc.model_validate(task_doc.model_dump()), TaskDoc) + assert mpr.get_charge_density_from_material_id("mp-0") is None + def test_get_charge_density_from_task_id(self, mpr): chgcar = mpr.get_charge_density_from_task_id("mp-2246557") assert isinstance(chgcar, Chgcar)