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DS_lvjng6g41bwy_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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PO_5047750099826669299130073
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| 2025-04-16T21:12:08
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DS_lvjng6g41bwy_0
| 1
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VASP
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DFT-PBE
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DS_lvjng6g41bwy_0
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DS_lvjng6g41bwy_0
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Si36
|
Si
|
A
|
[
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[
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] | 36
| 1
| 3
|
[
1,
1,
1
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[
"test_Si_surface_mp_Si_mp-149__3_2_1_"
] | 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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