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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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Zr16
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PO_1000645176071888483633789
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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| 2025-04-16T16:41:55
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DS_h9w8v7289utq_0
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PO_4958605718719952354689138
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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| 2025-04-16T21:27:46
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DS_h9w8v7289utq_0
| 1
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VASP
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DFT-PBE
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PO_4992427655098437641327130
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| 2025-04-16T21:44:51
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DS_h9w8v7289utq_0
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VASP
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DFT-PBE
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Zr15
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| 2025-04-16T15:42:59
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DS_h9w8v7289utq_0
| 1
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VASP
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DFT-PBE
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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DS_h9w8v7289utq_0
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{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
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PO_1050792422606927256643314
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| 2025-04-16T20:05:02
|
DS_h9w8v7289utq_0
| 1
|
VASP
|
DFT-PBE
| -136.078598
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| null | null | null | null | null | 0.667747
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CO_2263932710712356598217530
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[
true,
true,
true
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Zr16
|
Zr
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A
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[
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[
1
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[
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40,
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40,
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/2959/MD_5279706486609828620642959.json
| null |
{"materials-project-id": "mp-41", "hash": "5279706486609828620642959527987689910687149551279576353390162926485379059112851258568003409206027061485309506246998059441849637254276873824071992781742380", "id": "MD_5279706486609828620642959"}
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|
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