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| 2025-04-16T18:25:21
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DS_h9w8v7289utq_0
| 1
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VASP
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DFT-PBE
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Zr32
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A
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PO_4623237873615591244676039
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| 2025-04-16T21:30:02
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DS_h9w8v7289utq_0
| 1
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VASP
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DFT-PBE
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PO_4623029961967059306852859
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| 2025-04-16T21:43:25
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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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VASP
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DS_h9w8v7289utq_0
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| 2025-04-16T17:17:43
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DS_h9w8v7289utq_0
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VASP
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PO_4687834822262665157088732
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| 2025-04-17T18:48:22
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DS_h9w8v7289utq_0
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VASP
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DFT-PBE
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PO_4685171385365767868018492
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| 2025-04-16T17:56:02
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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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{"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_1064165584726239054100228
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| 2025-04-16T19:57:30
|
DS_h9w8v7289utq_0
| 1
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VASP
|
DFT-PBE
| -124.503418
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CO_5689449915183016838108834
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true,
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true
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Zr16
|
Zr
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A
|
[
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[
1
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[
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/4305/MD_1055731924224023963324305.json
| null |
{"materials-project-id": "mp-131", "hash": "10557319242240239633243052075157509552013768715293155287413313665243709901949932522557582446835036231123736140426577800868669611783334574683439255201297053", "id": "MD_1055731924224023963324305"}
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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_1064293216615510554159537
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| 2025-04-16T18:40:35
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DS_h9w8v7289utq_0
| 1
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VASP
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DFT-PBE
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CO_5418983992407027120082108
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true,
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true
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Zr17
|
Zr
|
A
|
[
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[
1
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[
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| 1
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[
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/4305/MD_1055731924224023963324305.json
| null |
{"materials-project-id": "mp-131", "hash": "10557319242240239633243052075157509552013768715293155287413313665243709901949932522557582446835036231123736140426577800868669611783334574683439255201297053", "id": "MD_1055731924224023963324305"}
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