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string | configuration_metadata
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1002035244650334897453374
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| 2025-04-16T21:37:17
|
DS_89w2iq8fw7qi_0
| 1
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VASP
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DFT-PBE
| -881.326112
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-16T21:13:40
|
DS_89w2iq8fw7qi_0
| 1
|
VASP
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DFT-PBE
| -946.907599
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DS_89w2iq8fw7qi_0
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DS_89w2iq8fw7qi_0
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DS_89w2iq8fw7qi_0
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-17T17:45:49
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DS_89w2iq8fw7qi_0
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VASP
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DFT-PBE
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DS_89w2iq8fw7qi_0
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VASP
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| 2025-04-16T16:47:21
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DS_89w2iq8fw7qi_0
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_89w2iq8fw7qi_0
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VASP
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DS_89w2iq8fw7qi_0
| 1
|
VASP
|
DFT-PBE
| -935.534186
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| null | null | null | null | null | 5.491911
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Hf32O64
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HfO2
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A2B
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[
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[
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data/MD/1512/MD_3220989785209901592711512.json
| null | null | null |
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PO_4982564330677745375618227
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| 2025-04-16T17:38:31
|
DS_89w2iq8fw7qi_0
| 1
|
VASP
|
DFT-PBE
| -947.33436
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DS_89w2iq8fw7qi_0
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VASP
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DS_89w2iq8fw7qi_0
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DS_89w2iq8fw7qi_0
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DS_89w2iq8fw7qi_0
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DS_89w2iq8fw7qi_0
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DS_89w2iq8fw7qi_0
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DS_89w2iq8fw7qi_0
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VASP
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DFT-PBE
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data/MD/1512/MD_3220989785209901592711512.json
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DS_89w2iq8fw7qi_0
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Hf32O64
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HfO2
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A2B
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[
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| 2
| 3
|
[
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1
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[
"sait_semiconductors__HfO__Validset_1729",
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] | null |
data/MD/1512/MD_3220989785209901592711512.json
| null | null | null |
{"input": {"ediff": {"value": 0.002, "units": "eV"}, "ediffg": {"value": 0.05, "units": "eV/angstrom"}}, "hash": "3220989785209901592711512060749399143158255874818296585998205381974360544737732089417139158924615074837033519915139922028460460046863434186179457886861933", "id": "MD_3220989785209901592711512"}
|
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