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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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data/MD/0620/MD_6993541344597867615300620.json
| null |
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PO_1005766928536610920988403
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| 2025-04-16T15:23:12
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DS_wyo91w20wlgm_0
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VASP
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DFT-PBE
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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_1005915913414991267358713
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| 2025-04-16T18:43:26
|
DS_wyo91w20wlgm_0
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VASP
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DFT-PBE
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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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| 2025-04-16T16:25:26
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DS_wyo91w20wlgm_0
| 1
|
VASP
|
DFT-PBE
| -134.816162
|
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| null | null | null | null | null | 0.171431
| 0.110324
| null |
CO_1088108432951899798228093
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true,
true,
true
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Li72
|
Li
|
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/5097/MD_5925453176734685439985097.json
| null |
{"materials-project-id": "mp-1018134", "hash": "5925453176734685439985097530431440663845793072116129116393524687912352551396348712474805586959324235019038702593799449797776327088743896889422232101273777", "id": "MD_5925453176734685439985097"}
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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_4987271757266665983227901
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| 2025-04-16T21:28:46
|
DS_wyo91w20wlgm_0
| 1
|
VASP
|
DFT-PBE
| -59.702076
|
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/9628/MD_1103666500172579881489628.json
| null |
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PO_1015031350071217224894185
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| 2025-04-16T16:46:49
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DS_wyo91w20wlgm_0
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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_1052293485460141454254063
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| 2025-04-16T21:56:50
|
DS_wyo91w20wlgm_0
| 1
|
VASP
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DFT-PBE
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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| 2025-04-16T20:19:21
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DS_wyo91w20wlgm_0
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VASP
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DFT-PBE
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Li24
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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/4698/MD_1046194963294996304184698.json
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PO_4566730845201507275302917
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| 2025-04-17T18:06:06
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DS_wyo91w20wlgm_0
| 1
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VASP
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DFT-PBE
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] |
[
true,
true,
true
] |
Li72
|
Li
|
A
|
[
"Li"
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[
1
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[
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3,
3,
3
] | 72
| 1
| 0
|
[
0,
0,
0
] |
[
"Li_iter_all_Li_iter0_T120_0_mp-1018134_elastic_B222_dist03_5_4"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/5097/MD_5925453176734685439985097.json
| null |
{"materials-project-id": "mp-1018134", "hash": "5925453176734685439985097530431440663845793072116129116393524687912352551396348712474805586959324235019038702593799449797776327088743896889422232101273777", "id": "MD_5925453176734685439985097"}
|
{"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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