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string | hash
string | configuration_metadata
string | property_metadata
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_4327646884144009096586161
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DS_u40eq96ge40x_0
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VASP 5.4.4
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DFT-PBE
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| 2025-04-16T20:12:06
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DS_u40eq96ge40x_0
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VASP 5.4.4
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DFT-PBE
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DS_u40eq96ge40x_0
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DS_u40eq96ge40x_0
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DS_u40eq96ge40x_0
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DS_u40eq96ge40x_0
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DS_u40eq96ge40x_0
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DS_u40eq96ge40x_0
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VASP 5.4.4
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DFT-PBE
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| 2025-04-16T21:44:51
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DS_u40eq96ge40x_0
| 1
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VASP 5.4.4
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DFT-PBE
| -953.391538
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| 2025-04-16T19:02:27
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DS_u40eq96ge40x_0
| 1
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VASP 5.4.4
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DFT-PBE
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DS_u40eq96ge40x_0
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DS_u40eq96ge40x_0
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DS_u40eq96ge40x_0
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 96
| 2
| 3
|
[
1,
1,
1
] |
[
"a-Hfo2-300K-NVT_1464"
] | null |
data/MD/4383/MD_6529784043051835752574383.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": "2 x 2 x 2"}, "hash": "652978404305183575257438326427795812290509392198228911740099732456522957982746763543182641302863780359810016040304409903598757809922764448396555973950710", "id": "MD_6529784043051835752574383"}
|
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