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[
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4.2770... | [
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true,
true
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... | 64 | 1 | 0 | [
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PO_1033784685672022906192049 | 10337846856720229061920491201365583661691760356962765428426668664856049173658250761559715120653734878810608204038319841375524445029532981144850810401613912 | 2025-04-16T16:23:10 | DS_g9sra4y8efji_0 | 1 | VASP 5.4.1 | DFT-PBE | -426.504621 | [
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3.617... | [
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true,
true
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... | 107 | 1 | 0 | [
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PO_1033750002204440043076782 | 10337500022044400430767825777690546550621894831065621633812754653158107378339383011086732715607247937557778883359306234668106345440285626736004151312775245 | 2025-04-16T21:52:07 | DS_g9sra4y8efji_0 | 1 | VASP 5.4.1 | DFT-PBE | -441.067097 | [
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[
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[
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[
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... | [
true,
true,
true
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... | 108 | 1 | 0 | [
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] | [
"mlearn_Cu_623",
"mlearn_Cu_624"
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PO_5237436315951106645462448 | 5237436315951106645462448206669484642277465411171861931810763767166328040663934822019819436631859776148342790741584380404988937954518537941396063984799503 | 2025-04-16T20:40:01 | DS_g9sra4y8efji_0 | 1 | VASP 5.4.1 | DFT-PBE | -612.575228 | [
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[
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[
0,
7.980... | [
true,
true,
true
] | Ni108 | Ni | A | [
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1
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... | 108 | 1 | 0 | [
0,
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] | null | data/MD/7622/MD_9830731687262188022137622.json | data/MD/6334/MD_1121720067908010481576334.json | null | {"jid": "Ni-180", "hash": "11217200679080104815763346016406826122451522881244066807409821033662517412859015747754121434820551694399082418598259619134453321902551678976782504505844777", "id": "MD_1121720067908010481576334"} | {"input": {"ediff": {"value": 0.0001, "units": "eV"}, "ediffg": {"value": 0.02, "units": "eV/angstrom"}, "encut": {"value": 520, "units": "eV"}, "kpoints": "4 x 4 x 4"}, "hash": "983073168726218802213762273790287756043102234574384778421190608143552963294618976215246710676642871907280986481064026021297517426820839542062... |
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