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DS_90fnsmavv1am_0
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| 2025-04-16T22:04:30
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DS_90fnsmavv1am_0
| 1
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VASP
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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_1002507537382485640481740
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10025075373824856404817407007344012661218343498618337438530540044427607928607100413203085092850074255425042642961874652831731097961051962604550363046422333
| 2025-04-16T18:07:29
|
DS_90fnsmavv1am_0
| 1
|
VASP
|
DFT-PBE
| -546.931274
|
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data/MD/7313/MD_9070686032824661011127313.json
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DS_90fnsmavv1am_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_4999585930936084640895919
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4999585930936084640895919882294989180754509009334376404197837847056069454569443028897792899889147261273084466383399640740734365821106116495681833615998987
| 2025-04-16T18:32:29
|
DS_90fnsmavv1am_0
| 1
|
VASP
|
DFT-PBE
| -519.847473
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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_1010296505661096281653751
|
10102965056610962816537516535039021161931282120102294271078867219629705898462997086214173686840413424077476401986748263857763330758909695114056755217458191
| 2025-04-16T21:28:46
|
DS_90fnsmavv1am_0
| 1
|
VASP
|
DFT-PBE
| -399.380951
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/9711/MD_1230448540310711180859711.json
| null |
{"materials-project-id": "mp-32", "temperature": 1238, "hash": "12304485403107111808597113623462359400016864947292320063493300545190244342328015378714708458404436896676543250026712703919132079076944583774624103626488991", "id": "MD_1230448540310711180859711"}
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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"}
|
PO_1051918646594892803167144
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| 2025-04-16T16:08:23
|
DS_90fnsmavv1am_0
| 1
|
VASP
|
DFT-PBE
| -398.005371
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data/MD/2010/MD_6920327804258182652592010.json
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/2010/MD_6920327804258182652592010.json
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{"materials-project-id": "mp-1091415", "temperature": 309, "hash": "692032780425818265259201023112290083714759079186577676972487806315061007683885024355775541362267942251589881108438092245849032579562838958823509969836475", "id": "MD_6920327804258182652592010"}
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PO_1055862412150379617377836
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| 2025-04-16T17:49:49
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DS_90fnsmavv1am_0
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VASP
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DFT-PBE
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VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/2010/MD_6920327804258182652592010.json
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{"materials-project-id": "mp-1091415", "temperature": 309, "hash": "692032780425818265259201023112290083714759079186577676972487806315061007683885024355775541362267942251589881108438092245849032579562838958823509969836475", "id": "MD_6920327804258182652592010"}
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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_1058064397211978951140624
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| 2025-04-16T20:09:34
|
DS_90fnsmavv1am_0
| 1
|
VASP
|
DFT-PBE
| -443.85379
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/5737/MD_8501845315275351464675737.json
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