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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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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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data/MD/0284/MD_6867862089716829310400284.json
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PO_1107748513822768339060833
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| 2025-04-17T18:16:17
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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
|
data/MD/5097/MD_5925453176734685439985097.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_5640857519198271982095964
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| 2025-04-16T17:09:42
|
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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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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VASP
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PO_1115424154676586075075328
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| 2025-04-16T17:29:12
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DS_wyo91w20wlgm_0
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VASP
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DFT-PBE
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Li32
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Li
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A
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PO_1115261466918148201565959
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| 2025-04-16T21:22:14
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DS_wyo91w20wlgm_0
| 1
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VASP
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DFT-PBE
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PO_5706910347700718656521160
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DS_wyo91w20wlgm_0
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VASP
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A
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| 2025-04-16T18:41:25
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DS_wyo91w20wlgm_0
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VASP
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data/MD/7816/MD_9278101984849724416327816.json
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| 2025-04-16T18:32:22
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DS_wyo91w20wlgm_0
| 1
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VASP
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DFT-PBE
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DS_wyo91w20wlgm_0
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data/MD/6027/MD_4679534404114336244956027.json
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DS_wyo91w20wlgm_0
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DS_wyo91w20wlgm_0
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VASP
|
DFT-PBE
| -59.704967
|
[
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[
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[
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[
0.003757680067792535,
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[
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[
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[
0.04242974892258644,
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[
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],
[
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[
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[
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0.11519204080104828
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[
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0.04528836905956268
],
[
0.019364679232239723,
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0.09089715033769608
]
] |
[
[
0.4677470028400421,
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],
[
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],
[
7.724343776702881,
-0.3271400034427643,
2.56187105178833
]
] | true
| null | null | null | null | null | 0.22943
| 0.132377
| null |
CO_6292050177275136904555686
|
6292050177275136904555686152770369210662268521199561440866077875509442324823017001782719673940255593151799739252741723503288212394477742584571255261799801
|
11226341971625755269128015632816333780698817105419144449044125980133975130584714194748722332588789780344843038214293095013662083024282791371585079633701514
|
[
[
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0,
0
],
[
0,
8.670676231384277,
0
],
[
2.601202964782715,
0,
8.670676231384277
]
] |
[
[
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[
8.127483367919922,
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
2.2743079662323,
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[
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2.2326369285583496,
6.371048927307129
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[
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[
10.409331321716309,
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[
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[
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[
6.584195137023926,
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2.2319700717926025
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[
5.951355934143066,
6.558867931365967,
6.379118919372559
]
] |
[
true,
true,
true
] |
Li32
|
Li
|
A
|
[
"Li"
] |
[
1
] |
[
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3,
3
] | 32
| 1
| 0
|
[
0,
0,
0
] |
[
"Li_iter_all_Li_iter0_T120_3_mp-51_elastic_B222_dist03_10_6"
] | 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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