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0,
0
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50
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0,
0
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PO_1002234187582390379899737 | 10022341875823903798997371277066360446425550500233868547739029917012416124017382612040592083299715447566964097445850909583255187069232373082555512020926203 | 2025-04-16T17:33:30 | DS_6woak771jubv_0 | 1 | VASP | DFT-PBE | -12.285846 | [
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true
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50,
50
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0,
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0
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PO_1002222535864988924200109 | 10022225358649889242001093841986021908150023818583923080017517104264667586992860698493233948021146088691696504585422471771538032298823387032270538407559135 | 2025-04-16T18:56:50 | DS_6woak771jubv_0 | 1 | VASP | DFT-PBE | -12.379166 | [
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true
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50,
50,
50,
50
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0
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[
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true,
true
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... | 72 | 1 | 0 | [
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0,
0
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PO_1002311839221972138570370 | 10023118392219721385703708651308046008244689193606502838269196404614204559241609822711380273314235508109384999077012891932142872268939188488168139484702006 | 2025-04-16T21:38:17 | DS_6woak771jubv_0 | 1 | VASP | DFT-PBE | -11.690433 | [
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[
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[
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2.88182
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] | true | null | null | null | null | null | 0.652496 | 0.652496 | null | CO_1047517398304150676596968 | 10475173983041506765969684987637220620977888629733546752953550024836394675675720822863467624902388468029033431876972807461639228338792428129421024299951214 | 819825218477853532434586088761032924030718423461892106486520224234675880573039213641281994319957210435630718435713688594973630206654462097288739786687976 | [
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[
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true,
true
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50,
50,
50,
50
] | 4 | 1 | 0 | [
0,
0,
0
] | [
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[
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[
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] | [
true,
true,
true
] | Zr2 | Zr | A | [
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] | [
1
] | [
40,
40
] | 2 | 1 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/9017/MD_9947179512540803424369017.json | null | null | null | {"input": {"ediff": 1e-05, "ediffg": 0.1, "encut": {"value": 400, "units": "eV"}, "kpoint-scheme": "gamma-centered", "kspacing": {"value": 0.03, "units": "2*pi/Ang"}}, "hash": "9947179512540803424369017564439767796641319821523310391606382219573515286545123374705416786073710187152787603397664847453101023664730374009361315753698747", "id": "MD_9947179512540803424369017"} |
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[
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[
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[
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[
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[
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[
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true,
true,
true
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1
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50,
50,
50,
50
] | 4 | 1 | 0 | [
0,
0,
0
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50
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50,
50
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0
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