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int32 | dimension_types
list | names
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string | configuration_metadata
string | property_metadata
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PO_2686368100903896010528708
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| 2025-04-16T16:55:35
|
DS_3pv3hck35iy6_0
| 1
|
VASP
|
DFT-PBE
| -385.062757
|
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| 1
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VASP
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DFT-PBE
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data/MD/5428/MD_3029330070173112270945428.json
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DS_3pv3hck35iy6_0
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VASP
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DS_3pv3hck35iy6_0
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| 2025-04-16T17:05:19
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DS_3pv3hck35iy6_0
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VASP
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data/MD/5428/MD_3029330070173112270945428.json
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{"input": {"energy-convergence": {"value": 1e-05, "units": "eV"}, "forces-convergence": {"value": 0.02, "units": "eV/Ang"}, "k-point-mesh": "4x4x4", "kinetic-energy-cutoff": {"value": 520, "units": "eV"}}, "hash": "3029330070173112270945428248346756104262166913948615023730061846371048907385446860933213732224086768570944475097288834560418435999319412793966686182956189", "id": "MD_3029330070173112270945428"}
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DS_3pv3hck35iy6_0
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VASP
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DFT-PBE
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[
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data/MD/5428/MD_3029330070173112270945428.json
| null | null | null |
{"input": {"energy-convergence": {"value": 1e-05, "units": "eV"}, "forces-convergence": {"value": 0.02, "units": "eV/Ang"}, "k-point-mesh": "4x4x4", "kinetic-energy-cutoff": {"value": 520, "units": "eV"}}, "hash": "3029330070173112270945428248346756104262166913948615023730061846371048907385446860933213732224086768570944475097288834560418435999319412793966686182956189", "id": "MD_3029330070173112270945428"}
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PO_9839054151915479360310152
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| 2025-04-16T18:05:35
|
DS_3pv3hck35iy6_0
| 1
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VASP
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DFT-PBE
| -438.678859
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data/MD/5428/MD_3029330070173112270945428.json
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DS_3pv3hck35iy6_0
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VASP
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DFT-PBE
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data/MD/5428/MD_3029330070173112270945428.json
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DS_3pv3hck35iy6_0
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VASP
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DFT-PBE
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data/MD/5428/MD_3029330070173112270945428.json
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| 2025-04-16T21:27:46
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DS_3pv3hck35iy6_0
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VASP
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DFT-PBE
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A
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data/MD/5428/MD_3029330070173112270945428.json
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{"input": {"energy-convergence": {"value": 1e-05, "units": "eV"}, "forces-convergence": {"value": 0.02, "units": "eV/Ang"}, "k-point-mesh": "4x4x4", "kinetic-energy-cutoff": {"value": 520, "units": "eV"}}, "hash": "3029330070173112270945428248346756104262166913948615023730061846371048907385446860933213732224086768570944475097288834560418435999319412793966686182956189", "id": "MD_3029330070173112270945428"}
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PO_4239825542655650745429105
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| 2025-04-16T21:38:17
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DS_3pv3hck35iy6_0
| 1
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VASP
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DFT-PBE
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DS_3pv3hck35iy6_0
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DS_3pv3hck35iy6_0
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VASP
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] | 108
| 1
| 3
|
[
1,
1,
1
] |
[
"train_Cu_3x3x3_cell_mode_1_strain_-0.0500"
] | null |
data/MD/5428/MD_3029330070173112270945428.json
| null | null | null |
{"input": {"energy-convergence": {"value": 1e-05, "units": "eV"}, "forces-convergence": {"value": 0.02, "units": "eV/Ang"}, "k-point-mesh": "4x4x4", "kinetic-energy-cutoff": {"value": 520, "units": "eV"}}, "hash": "3029330070173112270945428248346756104262166913948615023730061846371048907385446860933213732224086768570944475097288834560418435999319412793966686182956189", "id": "MD_3029330070173112270945428"}
|
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