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PO_1001501304505622583936902
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| 2025-04-16T22:04:30
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DS_dc3o40aou2le_0
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VASP
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DFT-PBE
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Cu48
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Cu
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A
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[
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[
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| 1
| 0
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/1070/MD_1930707603777017050011070.json
| null |
{"materials-project-id": "mp-1120774", "hash": "193070760377701705001107080539074290662545299088002219456431947370319665693130924919109129476617775689363633785947388360788009056473635193699639001226108", "id": "MD_1930707603777017050011070"}
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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_1002541586397655001115818
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| 2025-04-17T17:56:16
|
DS_dc3o40aou2le_0
| 1
|
VASP
|
DFT-PBE
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Cu48
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Cu
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A
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DS_dc3o40aou2le_0
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Cu16
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Cu
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DS_dc3o40aou2le_0
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VASP
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DFT-PBE
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Cu32
|
Cu
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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/1936/MD_7876487181888821678431936.json
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PO_1001970494602869481386876
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| 2025-04-16T17:06:11
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DS_dc3o40aou2le_0
| 1
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VASP
|
DFT-PBE
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[
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true
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Cu48
|
Cu
|
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/1070/MD_1930707603777017050011070.json
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PO_1000024497603772800824364
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| 2025-04-16T21:44:51
|
DS_dc3o40aou2le_0
| 1
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VASP
|
DFT-PBE
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| null | null | null | null | null | 1.294149
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CO_3791186663322267947707290
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Cu16
|
Cu
|
A
|
[
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0125/MD_9023465436536084198450125.json
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DS_dc3o40aou2le_0
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data/MD/5331/MD_7387864771096776423525331.json
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DS_dc3o40aou2le_0
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data/MD/1519/MD_5096852878689515016501519.json
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PO_1000859028178286985921414
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DS_dc3o40aou2le_0
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A
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PO_4939677610745069858220267
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| 2025-04-16T21:52:07
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DS_dc3o40aou2le_0
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VASP
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Cu16
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A
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PO_4924032303340857455259997
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| 2025-04-16T16:33:06
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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Cu16
|
Cu
|
A
|
[
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[
1
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0125/MD_9023465436536084198450125.json
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PO_4924193775422973573326564
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| 2025-04-16T15:14:02
|
DS_dc3o40aou2le_0
| 1
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VASP
|
DFT-PBE
| -112.267906
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Cu
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data/MD/1936/MD_7876487181888821678431936.json
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DS_dc3o40aou2le_0
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VASP
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Cu16
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PO_4923865762707259523724416
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DS_dc3o40aou2le_0
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/5331/MD_7387864771096776423525331.json
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DS_dc3o40aou2le_0
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Cu48
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Cu
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A
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[
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/1804/MD_1327105202556885627441804.json
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DS_dc3o40aou2le_0
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VASP
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DFT-PBE
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Cu32
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Cu
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A
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data/MD/1936/MD_7876487181888821678431936.json
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DS_dc3o40aou2le_0
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Cu16
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| 2025-04-16T16:23:19
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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data/MD/9257/MD_8629312491804937715709257.json
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PO_1005746642970361456681174
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| 2025-04-16T20:33:21
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0125/MD_9023465436536084198450125.json
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PO_1005696836831051610672437
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| 2025-04-16T18:09:37
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DS_dc3o40aou2le_0
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PO_1004487164818329382159678
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| 2025-04-16T19:57:36
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DS_dc3o40aou2le_0
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VASP
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DFT-PBE
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Cu48
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Cu
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A
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Cu33
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Cu
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A
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data/MD/1936/MD_7876487181888821678431936.json
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DS_dc3o40aou2le_0
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Cu16
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A
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PO_4958898376033076736199904
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| 2025-04-16T15:44:05
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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Cu16
|
Cu
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A
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1
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0125/MD_9023465436536084198450125.json
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PO_4965013394131247067523766
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| 2025-04-16T18:26:51
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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VASP
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Cu16
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A
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DS_dc3o40aou2le_0
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VASP
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Cu48
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Cu
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A
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data/MD/8121/MD_1213582242930949697188121.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_4961235145201624673105054
|
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| 2025-04-16T16:50:24
|
DS_dc3o40aou2le_0
| 1
|
VASP
|
DFT-PBE
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[
true,
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true
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Cu48
|
Cu
|
A
|
[
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[
1
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/1070/MD_1930707603777017050011070.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_4975427548037603152738565
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| 2025-04-17T18:26:41
|
DS_dc3o40aou2le_0
| 1
|
VASP
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DFT-PBE
| -45.242836
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Cu16
|
Cu
|
A
|
[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/9257/MD_8629312491804937715709257.json
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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| 2025-04-16T17:12:08
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DS_dc3o40aou2le_0
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VASP
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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PO_1007938379525344339493876
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| 2025-04-16T17:20:02
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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DS_dc3o40aou2le_0
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VASP
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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VASP
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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Cu
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A
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DS_dc3o40aou2le_0
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Cu48
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/1070/MD_1930707603777017050011070.json
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PO_4977020922770370900957456
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DS_dc3o40aou2le_0
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Cu48
|
Cu
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A
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[
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/1070/MD_1930707603777017050011070.json
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PO_4440263318202010240606710
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| 2025-04-16T16:07:30
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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PO_4435353848521864974469026
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DS_dc3o40aou2le_0
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Cu32
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PO_1011533950965686033427041
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DS_dc3o40aou2le_0
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VASP
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DFT-PBE
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Cu15
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Cu
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A
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PO_1011783301976561935764024
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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DS_dc3o40aou2le_0
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A
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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Cu32
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Cu
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A
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1
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/1936/MD_7876487181888821678431936.json
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PO_1012339624813748236296602
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DS_dc3o40aou2le_0
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VASP
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Cu16
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Cu
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A
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data/MD/2896/MD_7900197416090488123862896.json
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PO_1012526536796753110649649
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| 2025-04-16T17:16:57
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DS_dc3o40aou2le_0
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VASP
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Cu16
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Cu
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/9257/MD_8629312491804937715709257.json
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PO_1012701195672037527328176
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| 2025-04-16T19:05:56
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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CO_1527015853559414546266323
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Cu31
|
Cu
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A
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[
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[
1
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/1936/MD_7876487181888821678431936.json
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PO_1012739769980820605718390
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| 2025-04-16T21:17:28
|
DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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[
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true,
true
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Cu48
|
Cu
|
A
|
[
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[
1
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| 1
| 0
|
[
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/1070/MD_1930707603777017050011070.json
| null |
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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_4444491748458298552459158
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| 2025-04-16T18:29:47
|
DS_dc3o40aou2le_0
| 1
|
VASP
|
DFT-PBE
| -83.005363
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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Cu32
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Cu
|
A
|
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/1936/MD_7876487181888821678431936.json
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PO_4464232486930345566723915
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| 2025-04-16T18:44:19
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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[
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true
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Cu48
|
Cu
|
A
|
[
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[
1
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| 1
| 0
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/1070/MD_1930707603777017050011070.json
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PO_4472458940050754010389677
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| 2025-04-16T16:43:24
|
DS_dc3o40aou2le_0
| 1
|
VASP
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DFT-PBE
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_0
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PO_1050451017947295758200675
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DS_dc3o40aou2le_0
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Cu32
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PO_1051596337568866743036571
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| 2025-04-16T20:42:26
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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PO_1014036677626574572970541
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| 2025-04-16T18:49:16
|
DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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Cu32
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Cu
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A
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DS_dc3o40aou2le_0
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VASP
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DFT-PBE
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Cu16
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Cu
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0125/MD_9023465436536084198450125.json
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PO_1051192702914799888899144
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| 2025-04-16T15:44:35
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DS_dc3o40aou2le_0
| 1
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VASP
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DFT-PBE
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Cu15
|
Cu
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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/5331/MD_7387864771096776423525331.json
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| 2025-04-16T18:30:26
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DS_dc3o40aou2le_0
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VASP
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| 2025-04-16T21:43:16
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DS_dc3o40aou2le_0
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VASP
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| 2025-04-16T15:42:59
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DS_dc3o40aou2le_0
| 1
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VASP
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PO_4498125405433512699147110
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| 2025-04-17T17:35:57
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DS_dc3o40aou2le_0
| 1
|
VASP
|
DFT-PBE
| -80.222473
|
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CO_2437812038049761343690486
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true,
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Cu32
|
Cu
|
A
|
[
"Cu"
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[
1
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| 1
| 0
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[
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[
"Cu_iter3_0_mp-30_elastic_B222_dist03_1_1400_5"
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/6635/MD_8495636077538216939536635.json
| null |
{"materials-project-id": "mp-30", "temperature": 1400, "hash": "8495636077538216939536635379244474204165680900104957820640201532737276966007943778867825222405747515176057416471562302984749176270215765774074301963875404", "id": "MD_8495636077538216939536635"}
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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_4483684418269680228713624
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| 2025-04-16T16:55:24
|
DS_dc3o40aou2le_0
| 1
|
VASP
|
DFT-PBE
| -143.615158
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DS_dc3o40aou2le_0
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DS_dc3o40aou2le_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_1052818256181273393722467
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10528182561812733937224677627651462023654980593136267064064578555471220213831133133684014267186774190388227931098555157181835728261322020288032792493334708
| 2025-04-16T16:07:46
|
DS_dc3o40aou2le_0
| 1
|
VASP
|
DFT-PBE
| -87.013283
|
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| null | null | null | null | null | 7.845683
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CO_7087417249973865963236035
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Cu32
|
Cu
|
A
|
[
"Cu"
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[
1
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[
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29,
29,
29,
29,
29,
29
] | 32
| 1
| 0
|
[
0,
0,
0
] |
[
"Cu_iter0_T1400_1_mp-989695_elastic_B222_dist03_7_0"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/2710/MD_9528764851809222476042710.json
| null |
{"materials-project-id": "mp-989695", "hash": "9528764851809222476042710287434904452974295331793514297456432869021422888186293728034605436521615403216336741915436997874183701334979798960541055078530074", "id": "MD_9528764851809222476042710"}
|
{"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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