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int32 | nperiodic_dimensions
int32 | dimension_types
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list | labels
list | property_metadata_path
string | configuration_metadata_path
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string | configuration_metadata
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| 2025-04-17T17:45:49
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DS_yg0yzoiwoux8_0
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CASTEP
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data/MD/5202/MD_1086845055867124744315202.json
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DS_yg0yzoiwoux8_0
| 1
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VASP
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DFT-PBE
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DS_yg0yzoiwoux8_0
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VASP
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DS_yg0yzoiwoux8_0
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VASP
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DFT-PBE
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data/MD/5202/MD_1086845055867124744315202.json
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DS_yg0yzoiwoux8_0
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DS_yg0yzoiwoux8_0
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DS_yg0yzoiwoux8_0
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DS_yg0yzoiwoux8_0
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Si60
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A
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1003689010249314219343260
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DS_yg0yzoiwoux8_0
| 1
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VASP
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DFT-PBE
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Pb125Te125
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PbTe
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AB
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1003831283901967870550697
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| 2025-04-16T18:56:45
|
DS_yg0yzoiwoux8_0
| 1
|
VASP
|
DFT-PBE
| -943.055
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[
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PO_1003893323214179550824719
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| 2025-04-16T21:27:46
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DS_yg0yzoiwoux8_0
| 1
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CASTEP
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DFT-PW91
| -955.85454
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data/MD/5202/MD_1086845055867124744315202.json
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DS_yg0yzoiwoux8_0
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VASP
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DFT-PBE
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data/MD/5202/MD_1086845055867124744315202.json
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DS_yg0yzoiwoux8_0
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data/MD/5202/MD_1086845055867124744315202.json
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DS_yg0yzoiwoux8_0
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DS_yg0yzoiwoux8_0
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Si16
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Si
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A
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_yg0yzoiwoux8_0
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Quantum ESPRESSO
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DFT-PBE
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CO_4674695445217925241730262
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Si60
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Si
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A
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[
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data/MD/5202/MD_1086845055867124744315202.json
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