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DS_k065jfggbq43_0
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Pb16
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PO_4910074462050969023161955
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DS_k065jfggbq43_0
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VASP
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Pb32
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Pb
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A
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PO_4912698921048876094970858
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DS_k065jfggbq43_0
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VASP
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DFT-PBE
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DS_k065jfggbq43_0
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| 2025-04-16T21:51:46
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DS_k065jfggbq43_0
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Pb16
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data/MD/2219/MD_4216183907645476182352219.json
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| 2025-04-16T21:56:50
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DS_k065jfggbq43_0
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VASP
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DFT-PBE
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Pb32
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Pb
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A
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PO_1005137081251489686885668
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| 2025-04-16T18:08:08
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DS_k065jfggbq43_0
| 1
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VASP
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DFT-PBE
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DS_k065jfggbq43_0
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DS_k065jfggbq43_0
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DS_k065jfggbq43_0
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DS_k065jfggbq43_0
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DS_k065jfggbq43_0
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DS_k065jfggbq43_0
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Pb33
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Pb
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A
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| 2025-04-16T16:10:41
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DS_k065jfggbq43_0
| 1
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VASP
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DFT-PBE
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Pb16
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data/MD/6100/MD_1238636786334939295516100.json
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| 2025-04-16T18:36:02
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DS_k065jfggbq43_0
| 1
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VASP
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DFT-PBE
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DS_k065jfggbq43_0
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DS_k065jfggbq43_0
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DS_k065jfggbq43_0
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Pb4
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DS_k065jfggbq43_0
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VASP
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| 2025-04-16T18:32:29
|
DS_k065jfggbq43_0
| 1
|
VASP
|
DFT-PBE
| -109.784218
|
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] | true
| null | null | null | null | null | 0.552769
| 0.387586
| null |
CO_4336737812931615935592615
|
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|
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] |
[
true,
true,
true
] |
Pb32
|
Pb
|
A
|
[
"Pb"
] |
[
1
] |
[
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 32
| 1
| 0
|
[
0,
0,
0
] |
[
"Pb_Pb_iter0_T630_0_mp-20483_elastic_B222_dist03_4_ssschf_18"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/7541/MD_6866523180437286195697541.json
| null |
{"materials-project-id": "mp-20483", "hash": "6866523180437286195697541122528904205882048076310189769267922105468108335206301667425705564681416167762367760677175893354945966844463054070917376323690265", "id": "MD_6866523180437286195697541"}
|
{"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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