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data/MD/7324/MD_8342077683094605614607324.json
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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_1002496656593552656917515
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| 2025-04-16T18:46:47
|
DS_8y775we7um7w_0
| 1
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VASP
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DFT-PBE
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| 2025-04-16T19:49:39
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DS_8y775we7um7w_0
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Al16
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Al
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A
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data/MD/5909/MD_1092689733835166895275909.json
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PO_4906937587231235126349297
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| 2025-04-16T18:52:56
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DS_8y775we7um7w_0
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VASP
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DS_8y775we7um7w_0
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Al32
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Al
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A
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data/MD/8320/MD_8167787933279587874418320.json
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PO_1005622237249033155750058
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DS_8y775we7um7w_0
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Al16
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data/MD/5909/MD_1092689733835166895275909.json
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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data/MD/5909/MD_1092689733835166895275909.json
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DS_8y775we7um7w_0
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VASP
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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VASP
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Al16
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A
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data/MD/5909/MD_1092689733835166895275909.json
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PO_4436968007842869904681419
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| 2025-04-16T18:49:01
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DS_8y775we7um7w_0
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VASP
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DFT-PBE
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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Al16
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| 2025-04-16T21:12:08
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DS_8y775we7um7w_0
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Al16
|
Al
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/5909/MD_1092689733835166895275909.json
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PO_1053096425723368689314932
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| 2025-04-16T21:51:00
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DS_8y775we7um7w_0
| 1
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VASP
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DFT-PBE
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DS_8y775we7um7w_0
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DS_8y775we7um7w_0
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VASP
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DS_8y775we7um7w_0
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Al32
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Al
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A
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data/MD/8460/MD_9300119296539735821808460.json
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PO_4578169290213596177504846
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| 2025-04-17T18:26:41
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DS_8y775we7um7w_0
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Al7
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Al
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A
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1
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data/MD/7324/MD_8342077683094605614607324.json
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PO_4580204530298761999245313
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| 2025-04-16T18:04:13
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DS_8y775we7um7w_0
| 1
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VASP
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DFT-PBE
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Al15
|
Al
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A
|
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1
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/5909/MD_1092689733835166895275909.json
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PO_1017960765484001529399357
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| 2025-04-16T17:41:23
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DS_8y775we7um7w_0
| 1
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VASP
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DFT-PBE
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Al16
|
Al
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A
|
[
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[
1
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| 1
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/5909/MD_1092689733835166895275909.json
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PO_1057845307464214669543980
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| 2025-04-16T18:47:34
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DS_8y775we7um7w_0
| 1
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VASP
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DFT-PBE
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Al32
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Al
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8320/MD_8167787933279587874418320.json
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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_1056992070253264604157130
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| 2025-04-16T16:50:24
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DS_8y775we7um7w_0
| 1
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VASP
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DFT-PBE
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Al64
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/7324/MD_8342077683094605614607324.json
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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_1017140500600917751629964
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|
DS_8y775we7um7w_0
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VASP
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DFT-PBE
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Al32
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8460/MD_9300119296539735821808460.json
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