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[
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true,
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"W"
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1
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74
] | 1 | 1 | 3 | [
1,
1,
1
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"slice_sample"
] | null | data/MD/8697/MD_7832766191902810065318697.json | data/MD/0237/MD_7940789923608474251760237.json | null | {"configuration_type": "slice_sample", "hash": "7940789923608474251760237604814968442006272925312225567157973028882216171000867096195651611048843836436221007456493621963660978614627133828894574272445958", "id": "MD_7940789923608474251760237"} | {"POTCAR": "PAW_PBE W_sv 04Sep2015", "input": {"EDIFF": "1.00e-06", "ENCUT": "500.000000", "GGA": "PE", "ISMEAR": 1, "KSPACING": "bulk: 0.150000; surface: 1 k-point along surface normal", "LASPH": ".TRUE.", "NELMIN": 4, "PREC": "Accurate", "SIGMA": "0.100000", "file-type": "INCAR"}, "hash": "783276619190281006531869708... |
PO_4881749737956369681896772 | 4881749737956369681896772761663624648860633746514990767137403122746861742648208211282798710838025340513027111431587653897424622384926270540811875510709358 | 2025-04-16T16:31:58 | DS_gh9s2sopu064_0 | 1 | VASP | DFT-PBE | -12.859716 | [
[
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[
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1
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74
] | 1 | 1 | 3 | [
1,
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1
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"slice_sample"
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PO_4881089804518430087016292 | 4881089804518430087016292508947696218512292089368272978631849473078902820675082785151166196987962651104073021081316330053215314596870206918551237257520993 | 2025-04-16T17:26:14 | DS_gh9s2sopu064_0 | 1 | VASP | DFT-PBE | -102.602497 | [
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[
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[
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0.00412487,
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[
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[
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[
0.014229380771124652,
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0.005365939995869066
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] | true | null | null | null | null | null | 0.052812 | 0.029997 | null | CO_6398701593821422218911144 | 6398701593821422218911144576597155564992996997724526276145482161656457019588706329225585995743444747630235022875713016340096007684454939713878003230403309 | 11845332278650437024148407217376780993987633557997138558574912417830140538747424369055961910598935155982674287932186920513292840653118437094114854979469411 | [
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[
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[
2.580... | [
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1
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74,
74,
74,
74,
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74,
74,
74
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PO_4911924989532460300554272 | 4911924989532460300554272676580713921212894619162707283331619608757070161776181700482251090870313526944527050558545957982663115548555235806866114388127280 | 2025-04-16T15:18:28 | DS_gh9s2sopu064_0 | 1 | VASP | DFT-PBE | -12.891229 | [
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[
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1
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74
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