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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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PO_5785908099666722669119656
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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PO_5804340637891385936975794
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| 2025-04-16T15:44:44
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DS_wyo91w20wlgm_0
| 1
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VASP
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DFT-PBE
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Li72
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Li
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/5097/MD_5925453176734685439985097.json
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PO_5801353231192713535299058
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| 2025-04-16T17:55:48
|
DS_wyo91w20wlgm_0
| 1
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VASP
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DFT-PBE
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PO_1130122244677694960628832
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| 2025-04-16T17:45:43
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DS_wyo91w20wlgm_0
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VASP
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Li33
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Li
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A
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| 2025-04-16T18:29:57
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DS_wyo91w20wlgm_0
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VASP
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Li23
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Li
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PO_1130484434057555704657909
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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PO_1140174827468802686003976
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DS_wyo91w20wlgm_0
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PO_1139654808290659342201785
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DS_wyo91w20wlgm_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_1137676388146954524824044
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| 2025-04-16T17:07:20
|
DS_wyo91w20wlgm_0
| 1
|
VASP
|
DFT-PBE
| -8.210588
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| null | null | null | null | null | 0.478509
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CO_5769195202883990963979078
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[
true,
true,
true
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Li33
|
Li
|
A
|
[
"Li"
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[
1
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[
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3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3
] | 33
| 1
| 0
|
[
0,
0,
0
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[
"Li_iter_all_Li_iter0_T120_3_mp-51_interstitials_FCC2_crowdion_13"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0284/MD_6867862089716829310400284.json
| null |
{"materials-project-id": "mp-51", "hash": "6867862089716829310400284858454650157160446846059229755146565870796070663464524913614835623896041996883045188092169217981276568269358780443286833620843036", "id": "MD_6867862089716829310400284"}
|
{"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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