Part 3 - Expanded Query Builder Functions

[1]:
from mdf_forge.forge import Forge
[2]:
mdf = Forge()

More Query Builders

match_exists

match_exists() matches entries where there is any value in the field. As long as the field exists in the entry, it’s a match.

[3]:
mdf.match_exists("services.globus_publish")
[3]:
<mdf_forge.forge.Forge at 0x7f35bc6fc630>
[4]:
mdf.search(limit=10)
[4]:
[{'data': {'endpoint_path': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/surface_diffusion_bcc011_v1/',
   'link': 'https://www.globus.org/app/transfer?origin_id=e38ee745-6d04-11e5-ba46-22000b92c6ec&origin_path=/MDF/mdf_connect/prod/data/surface_diffusion_bcc011_v1/'},
  'dc': {'creators': [{'affiliations': ['Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, 1110 W. Green Street, Urbana, IL 61801, USA'],
     'creatorName': 'Ondrejcek, Michal',
     'familyName': 'Ondrejcek',
     'givenName': 'Michal'},
    {'affiliations': ['Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, 1110 W. Green Street, Urbana, IL 61801, USA'],
     'creatorName': 'Rajappan, Mahesh',
     'familyName': 'Rajappan',
     'givenName': 'Mahesh'},
    {'affiliations': ['Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, 1110 W. Green Street, Urbana, IL 61801, USA'],
     'creatorName': 'Swiech, Wacek',
     'familyName': 'Swiech',
     'givenName': 'Wacek'},
    {'affiliations': ['Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, 1110 W. Green Street, Urbana, IL 61801, USA'],
     'creatorName': 'Swiech, Wacek',
     'familyName': 'Swiech',
     'givenName': 'Wacek'}],
   'descriptions': [{'description': 'Surface mass diffusion on a smooth surfaces provide basic quantities, such as diffusion coefficients Ds  relevant to surface kinetics.  By step fluctuation experiments on ~300 nm thick films of four bcc(011) metals grown on (11—20) alpha-Al2O3, using Low Energy Electron Microscopy (LEEM), we determine the coefficient Ds for V, Nb, Ta and Mo in the temperature range above 0.5 Tm, with Tm being the melting temperature. The fluctuation amplitudes and step relaxation times are obtained as function of wave number q by calculating the Fourier components of the step edge displacement. The temperature dependence for Mo and Nb reveals both surface self-diffusion process and bulk vacancy diffusion also. The diffusion coefficients of V, Nb overlap well as functions of T/Tm  but are an order of magnitude higher than that of Mo(011). The difference and a factor ~10+3 in prefactor probably arise from the native submonolayer oxidation of the column 5 metals.',
     'descriptionType': 'Other'}],
   'publicationYear': '2018',
   'publisher': 'University of Illinois at Urbana-Champaign',
   'relatedIdentifiers': [{'relatedIdentifier': '10.1103/PhysRevB.73.035418',
     'relatedIdentifierType': 'DOI',
     'relationType': 'IsPartOf'},
    {'relatedIdentifier': '10.1063/1.2356108',
     'relatedIdentifierType': 'DOI',
     'relationType': 'IsPartOf'},
    {'relatedIdentifier': '10.1080/14786430500398433',
     'relatedIdentifierType': 'DOI',
     'relationType': 'IsPartOf'},
    {'relatedIdentifier': '10.1016/j.susc.2006.07.035',
     'relatedIdentifierType': 'DOI',
     'relationType': 'IsPartOf'},
    {'relatedIdentifier': '10.1080/09500830310001646671',
     'relatedIdentifierType': 'DOI',
     'relationType': 'IsPartOf'}],
   'resourceType': {'resourceType': 'Dataset',
    'resourceTypeGeneral': 'Dataset'},
   'titles': [{'title': 'Surface Mass Diffusion on bcc(011) Planes; V, Nb, Ta and Mo'}]},
  'mdf': {'ingest_date': '2018-11-02T19:44:46.339540Z',
   'mdf_id': '5bdca92e2ef3881fbd3b18f0',
   'resource_type': 'dataset',
   'scroll_id': 0,
   'source_id': 'surface_diffusion_bcc011_v1',
   'source_name': 'surface_diffusion_bcc011',
   'version': 1},
  'services': {'globus_publish': 'https://publish.globus.org/jspui/handle/ITEM/1209',
   'mdf_search': 'This dataset was ingested to MDF Search.'}},
 {'data': {'endpoint_path': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/data_for_motif_extraction_from_zr50cu45al5_metallic_glass_models_v1-1/',
   'link': 'https://www.globus.org/app/transfer?origin_id=e38ee745-6d04-11e5-ba46-22000b92c6ec&origin_path=/MDF/mdf_connect/prod/data/data_for_motif_extraction_from_zr50cu45al5_metallic_glass_models_v1-1/'},
  'dc': {'creators': [{'creatorName': 'Jason J. Maldonis'},
    {'creatorName': 'Arash Deghan Banadaki'},
    {'creatorName': 'Srikanth Patala'},
    {'creatorName': 'Paul M. Voyles'}],
   'identifier': {'identifier': '10.test/1', 'identifierType': 'DOI'},
   'publicationYear': '2018',
   'publisher': 'Materials Data Facility',
   'resourceType': {'resourceTypeGeneral': 'Dataset'},
   'subjects': [{'subject': 'motif extraction'},
    {'subject': 'short range order'},
    {'subject': 'metallic glass'},
    {'subject': 'molecular dynamics'},
    {'subject': 'machine learning'},
    {'subject': 'atomistic model'}],
   'titles': [{'title': 'Data for Motif Extraction from Zr50Cu45Al5 Metallic Glass Models'}]},
  'mdf': {'ingest_date': '2018-12-20T21:28:10.983590Z',
   'mdf_id': '5c1c096a2ef38837ef942471',
   'resource_type': 'dataset',
   'scroll_id': 0,
   'source_id': 'data_for_motif_extraction_from_zr50cu45al5_metallic_glass_models_v1-1',
   'source_name': 'data_for_motif_extraction_from_zr50cu45al5_metallic_glass_models',
   'version': 1},
  'services': {'globus_publish': 'https://publish.globus.org/jspui/handle/ITEM/1268',
   'mdf_search': 'This dataset was ingested to MDF Search.',
   'mrr': 'This dataset was registered with the MRR.'}}]

match_not_exists

match_not_exists() is the opposite of match_exists(). Any entry without the given field is a match.

[5]:
mdf.match_not_exists("services.mrr")
[5]:
<mdf_forge.forge.Forge at 0x7f35bc6fc630>
[6]:
mdf.search(limit=10)
[6]:
[{'cip': {'bv': '141.1',
   'energy': '-3.19',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '37.1',
   'mpid': 'mp-510752',
   'totenergy': '-1839.6948'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'Cu288 O288', 'elements': ['Cu', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139bb',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1002,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '300.9',
   'energy': '-2.67',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '103.8',
   'mpid': 'mp-703914',
   'totenergy': '-1538.4116'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'Cu192 O384', 'elements': ['Cu', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139bf',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1006,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '603.0',
   'energy': '-3.64',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '317.7',
   'mpid': 'mp-760432',
   'totenergy': '-2186.0068'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'Cu240 O360', 'elements': ['Cu', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139c2',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1009,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '335.6',
   'energy': '-3.38',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '127.0',
   'mpid': 'mp-760084',
   'totenergy': '-1369.2882'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'Cu216 O189', 'elements': ['Cu', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139c7',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1014,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '5.1',
   'energy': '-5.66',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '6.0',
   'mpid': 'mp-20066',
   'totenergy': '-4349.2305'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'C256 O512', 'elements': ['C', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139cb',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1018,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '-1.7',
   'energy': '-5.6',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '-0.6',
   'mpid': 'mp-556660',
   'totenergy': '-7254.3956'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'C648 O648', 'elements': ['C', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139cc',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1019,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '168.9',
   'energy': '-3.22',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '13.0',
   'mpid': 'mp-557082',
   'totenergy': '-5208.6095'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'H1080 O540', 'elements': ['H', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139d2',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1025,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '159.7',
   'energy': '-3.22',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '15.1',
   'mpid': 'mp-558226',
   'totenergy': '-5209.7568'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'H1080 O540', 'elements': ['H', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139d4',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1027,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '17996.9',
   'energy': '-2.5',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '-3143.8',
   'mpid': 'mp-673658',
   'totenergy': '-3847.4315'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'H1024 O512', 'elements': ['H', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139d6',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1029,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '68.9',
   'energy': '-3.24',
   'forcefield': 'ffield.CuOCH.comb3',
   'gv': '-4.2',
   'mpid': 'mp-696735',
   'totenergy': '-3147.6329'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'H648 O324', 'elements': ['H', 'O']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cf2ef3880b0f2139dd',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 1036,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}}]

match_range

match_range() is the same as match_field() except that the value is a range. Strings are allowed as ranges at your own risk (they’re evaluated based on alphabetical order, but can sometimes have unexpected results).

[7]:
mdf.match_range("mdf.scroll_id", 0, 10)
[7]:
<mdf_forge.forge.Forge at 0x7f35bc6fc630>

exclude_range

Similarly, you can exclude a range with exclude_range().

[8]:
mdf.exclude_range("mdf.scroll_id", 100, 199)
[8]:
<mdf_forge.forge.Forge at 0x7f35bc6fc630>
[9]:
mdf.search(limit=10)
[9]:
[{'cip': {'bv': '104.6',
   'energy': '-2.85',
   'forcefield': 'CuAg.eam.alloy',
   'gv': '29.5',
   'mpid': 'mp-10597',
   'totenergy': '-45.53844'},
  'files': [{'data_type': 'ASCII text, with very long lines, with no line terminators',
    'filename': 'classical_interatomic_potentials.json',
    'globus': 'globus://e38ee745-6d04-11e5-ba46-22000b92c6ec/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json',
    'length': 1841203,
    'mime_type': 'text/plain',
    'sha512': '96635ee0c15d1d0187b18805653a02b1a6dfa5648db82153467045de18adcc08c753e2897d2b48a78a2167a442219e9aeff6b1103732c2158facac8fa4911b33',
    'url': 'https://e38ee745-6d04-11e5-ba46-22000b92c6ec.e.globus.org/MDF/mdf_connect/prod/data/cip_v1/classical_interatomic_potentials.json'}],
  'material': {'composition': 'Ag16', 'elements': ['Ag']},
  'mdf': {'ingest_date': '2018-10-29T17:47:57.468388Z',
   'mdf_id': '5bd747cd2ef3880b0f2135d8',
   'parent_id': '5bd747cd2ef3880b0f2135d1',
   'resource_type': 'record',
   'scroll_id': 7,
   'source_id': 'cip_v1',
   'source_name': 'cip',
   'version': 1}},
 {'cip': {'bv': '138.4',
   'energy': '-3.54',
   'forcefield': 'CuAg.eam.alloy',
   'gv': '55.2',
   'mpid': 'mp-30',
   'totenergy': '-113.28'},
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exclusive_match

If you want a key to have exactly a certain value, use exclusive_match(). This is most useful in the case of lists.

[10]:
mdf.exclusive_match("material.elements", "O").search(limit=10)
[10]:
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   'mpid': 'mp-12957',
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 {'cip': {'bv': '0.0',
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  'material': {'composition': 'O32', 'elements': ['O']},
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 {'cip': {'bv': '0.0',
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  'material': {'composition': 'O128', 'elements': ['O']},
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 {'cip': {'bv': '0.0',
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