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PO_4323726238526654653625407
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| 2025-04-16T19:57:46 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb48
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Sb
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A
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0984/MD_1175204308310345149590984.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_4323012886444094018546752
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| 2025-04-16T20:04:30 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -175.221313 |
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CO_8075582447147989582311218
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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data/MD/8258/MD_1271418612909851697008258.json
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| 2025-04-16T17:55:48 |
DS_z90lfjg88fzo_0
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0773/MD_6774213934135675701540773.json
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| 2025-04-16T17:58:31 |
DS_z90lfjg88fzo_0
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VASP
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0984/MD_1175204308310345149590984.json
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PO_4343761797453286164068402
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| 2025-04-16T17:16:57 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -119.546867 |
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[
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0647/MD_3072275598411872336810647.json
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PO_4343796275783061992280160
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| 2025-04-16T17:26:50 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -32.413105 |
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CO_9739505692208865157653414
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Sb8
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/6872/MD_9890234894463978372076872.json
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PO_4327630681553341453038534
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| 2025-04-16T15:42:56 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -62.435089 |
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CO_8367254011412542180140322
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Sb16
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data/MD/8190/MD_1069713809891562784388190.json
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| 2025-04-16T21:51:46 |
DS_z90lfjg88fzo_0
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data/MD/0201/MD_2164565307674838913500201.json
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| 2025-04-16T16:54:22 |
DS_z90lfjg88fzo_0
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4332892371287227741352688
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| 2025-04-16T16:46:19 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/0984/MD_1175204308310345149590984.json
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| 2025-04-16T18:56:50 |
DS_z90lfjg88fzo_0
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data/MD/9184/MD_5600237606314913062759184.json
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| 2025-04-16T15:09:29 |
DS_z90lfjg88fzo_0
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VASP
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/7690/MD_1226566192249423389047690.json
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PO_4306521705998601703119341
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| 2025-04-16T20:58:52 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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| 2025-04-16T18:18:40 |
DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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PO_4311283502880800244376548
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| 2025-04-16T16:33:27 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb8
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/6872/MD_9890234894463978372076872.json
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PO_4312452617160825652627149
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| 2025-04-16T21:37:22 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -63.829731 |
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CO_1112290087145427953047214
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/2054/MD_8723377259784243212242054.json
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PO_4312320220173601698955601
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| 2025-04-16T21:56:50 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb32
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/1784/MD_6196355602623336221701784.json
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PO_4367488632847255350810571
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| 2025-04-16T15:44:32 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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CO_6963864967490957830634441
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Sb8
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/7380/MD_1531921544206064124007380.json
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PO_4364697023273121645905141
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| 2025-04-16T16:29:01 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -167.066528 |
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| 2025-04-16T21:51:00 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb16
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/9184/MD_5600237606314913062759184.json
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PO_4339629719805100212099735
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| 2025-04-16T16:10:07 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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| 2025-04-16T18:26:36 |
DS_z90lfjg88fzo_0
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VASP
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0773/MD_6774213934135675701540773.json
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PO_4349914138768768385041332
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| 2025-04-16T17:17:12 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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PO_4351407133989636725931380
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| 2025-04-16T20:28:37 |
DS_z90lfjg88fzo_0
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PO_4354080904183262145659944
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| 2025-04-16T16:20:54 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/2054/MD_8723377259784243212242054.json
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PO_4357416899437001597701498
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| 2025-04-16T21:22:14 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -97.925476 |
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DS_z90lfjg88fzo_0
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0773/MD_6774213934135675701540773.json
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| 2025-04-16T18:01:36 |
DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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data/MD/0773/MD_6774213934135675701540773.json
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PO_4362389629883941104897210
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| 2025-04-16T17:32:22 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -191.118759 |
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Sb47
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Sb
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A
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1
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[
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0984/MD_1175204308310345149590984.json
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PO_4371247776745296399365937
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| 2025-04-16T21:28:46 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -51.650101 |
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Sb16
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8190/MD_1069713809891562784388190.json
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PO_4383308713922599046460305
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| 2025-04-16T18:22:53 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -117.981819 |
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Sb31
|
Sb
|
A
|
[
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1
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[
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0
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[
"Sb_iter0_T930_11_mp-10630_vacancies_Vac_0_16"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/8258/MD_1271418612909851697008258.json
| null |
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PO_4387128120729647138298580
|
4387128120729647138298580717727710866259692772013763535319105874485033550749316767462111289047517485697549886243486353072072405209661486884794856321955863
| 2025-04-16T17:11:15 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -34.547455 |
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Sb16
|
Sb
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A
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1
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0201/MD_2164565307674838913500201.json
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PO_4391985694334018262258539
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| 2025-04-16T20:26:39 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -65.857307 |
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0773/MD_6774213934135675701540773.json
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| 2025-04-16T16:50:24 |
DS_z90lfjg88fzo_0
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0201/MD_2164565307674838913500201.json
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| 2025-04-16T18:49:16 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb32
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0647/MD_3072275598411872336810647.json
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PO_4396129088687252496237370
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| 2025-04-16T17:45:01 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -57.713604 |
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| 2025-04-16T17:30:38 |
DS_z90lfjg88fzo_0
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| 2025-04-16T20:45:40 |
DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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Sb32
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8258/MD_1271418612909851697008258.json
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PO_4403595302931855328066657
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| 2025-04-16T21:12:08 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -27.38937 |
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data/MD/7380/MD_1531921544206064124007380.json
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| 2025-04-16T21:29:37 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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data/MD/0201/MD_2164565307674838913500201.json
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| 2025-04-16T20:29:58 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb32
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0647/MD_3072275598411872336810647.json
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PO_4401360656996180132253823
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| 2025-04-17T18:16:17 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -119.606812 |
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Sb32
|
Sb
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A
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[
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0647/MD_3072275598411872336810647.json
| null |
{"materials-project-id": "mp-10630", "temperature": 930, "hash": "3072275598411872336810647805393279604353117325645403798034065956620762312800858671525156252938439413501986464715767014346282152446902643042754645244534765", "id": "MD_3072275598411872336810647"}
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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_4401470059253083942979091
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| 2025-04-16T18:36:58 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -179.332123 |
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DS_z90lfjg88fzo_0
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data/MD/0201/MD_2164565307674838913500201.json
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DS_z90lfjg88fzo_0
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VASP
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data/MD/0984/MD_1175204308310345149590984.json
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PO_4407231503851589780121819
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| 2025-04-16T20:28:32 |
DS_z90lfjg88fzo_0
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VASP
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data/MD/6039/MD_1329574950964754993516039.json
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PO_4418941119533526699877191
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| 2025-04-16T16:49:26 |
DS_z90lfjg88fzo_0
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VASP
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PO_4419698589792152461758206
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| 2025-04-16T16:47:26 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/0201/MD_2164565307674838913500201.json
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PO_4419353321138081228132563
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| 2025-04-16T21:28:46 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -53.311993 |
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/9184/MD_5600237606314913062759184.json
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PO_4408546518808146023333891
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| 2025-04-16T15:44:05 |
DS_z90lfjg88fzo_0
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data/MD/7690/MD_1226566192249423389047690.json
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PO_4410715170271427158948754
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| 2025-04-16T20:04:36 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb16
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A
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0201/MD_2164565307674838913500201.json
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PO_4414408740522403633207548
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| 2025-04-16T16:07:38 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb7
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Sb
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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/7380/MD_1531921544206064124007380.json
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PO_4426038715204147205992835
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| 2025-04-16T15:42:59 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -191.308411 |
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PO_4428057173537577920721469
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| 2025-04-16T17:23:23 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8190/MD_1069713809891562784388190.json
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PO_4428985394177661145282876
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| 2025-04-16T17:52:43 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -117.460136 |
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data/MD/8258/MD_1271418612909851697008258.json
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PO_4431013664876051743345484
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| 2025-04-16T21:52:07 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4802768267868097062125799
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| 2025-04-16T21:26:02 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb8
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/6872/MD_9890234894463978372076872.json
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PO_4432840354377852503624245
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| 2025-04-16T21:51:46 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb7
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A
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4430337912911866953303106
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| 2025-04-17T17:45:49 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4800471240600688226409613
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| 2025-04-16T21:37:22 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4803602909307161629910968
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| 2025-04-16T21:28:46 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8190/MD_1069713809891562784388190.json
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PO_4804560155518278080166484
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| 2025-04-16T16:57:08 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -23.056162 |
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CO_8549594665265684940743834
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4818538420262022835757898
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| 2025-04-17T17:35:57 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/6039/MD_1329574950964754993516039.json
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PO_4820981169223184042128070
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| 2025-04-16T16:09:58 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/6039/MD_1329574950964754993516039.json
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PO_4822777127485635647148151
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| 2025-04-16T16:51:12 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb7
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Sb
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/6039/MD_1329574950964754993516039.json
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PO_4808253823615537017863403
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| 2025-04-16T17:12:08 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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CO_4228561353545633303080819
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0201/MD_2164565307674838913500201.json
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| 2025-04-16T17:42:29 |
DS_z90lfjg88fzo_0
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VASP
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/2054/MD_8723377259784243212242054.json
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PO_4809714261884855714957335
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| 2025-04-16T19:01:50 |
DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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Sb48
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Sb
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0984/MD_1175204308310345149590984.json
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| 2025-04-16T21:28:46 |
DS_z90lfjg88fzo_0
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| 2025-04-16T17:06:57 |
DS_z90lfjg88fzo_0
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VASP
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0201/MD_2164565307674838913500201.json
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| 2025-04-17T17:45:49 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0647/MD_3072275598411872336810647.json
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| 2025-04-16T18:26:36 |
DS_z90lfjg88fzo_0
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0201/MD_2164565307674838913500201.json
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PO_4834027481151571965682517
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| 2025-04-16T17:52:39 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb17
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/2054/MD_8723377259784243212242054.json
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PO_4835118160141639505000253
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| 2025-04-16T17:24:20 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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| 2025-04-16T17:23:25 |
DS_z90lfjg88fzo_0
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VASP
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Sb16
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0201/MD_2164565307674838913500201.json
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PO_4839145198952772353421688
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| 2025-04-16T21:29:37 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8258/MD_1271418612909851697008258.json
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PO_4841309814043567489800675
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| 2025-04-16T21:51:00 |
DS_z90lfjg88fzo_0
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VASP
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Sb48
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Sb
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A
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0984/MD_1175204308310345149590984.json
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PO_4846303529921641667476194
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| 2025-04-16T16:02:31 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/7690/MD_1226566192249423389047690.json
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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Sb48
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0984/MD_1175204308310345149590984.json
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| 2025-04-17T17:56:16 |
DS_z90lfjg88fzo_0
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data/MD/8121/MD_1213582242930949697188121.json
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| 2025-04-16T20:16:40 |
DS_z90lfjg88fzo_0
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VASP
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data/MD/7363/MD_5459493309020573908757363.json
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PO_4864975162484829061271276
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| 2025-04-17T18:16:17 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4862997465975879709686683
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| 2025-04-16T17:42:42 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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Sb17
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0773/MD_6774213934135675701540773.json
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PO_4855724437463260163999320
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| 2025-04-16T21:28:46 |
DS_z90lfjg88fzo_0
| 1 |
VASP
|
DFT-PBE
| -61.369579 |
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Sb16
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A
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1
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[
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/8190/MD_1069713809891562784388190.json
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PO_4854528115602623769403275
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| 2025-04-16T16:51:12 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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data/MD/6872/MD_9890234894463978372076872.json
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| 2025-04-16T20:11:48 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/6039/MD_1329574950964754993516039.json
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PO_4863497859415463404745162
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| 2025-04-16T17:16:57 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0201/MD_2164565307674838913500201.json
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PO_4866394108930604479409153
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| 2025-04-16T19:01:50 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -31.264944 |
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/6039/MD_1329574950964754993516039.json
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| 2025-04-16T20:17:40 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/1784/MD_6196355602623336221701784.json
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PO_4872994860483389113718992
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| 2025-04-16T18:47:35 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/9184/MD_5600237606314913062759184.json
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PO_4872581130045758035483002
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| 2025-04-16T20:39:54 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
| -23.564295 |
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data/MD/7380/MD_1531921544206064124007380.json
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| 2025-04-16T18:11:35 |
DS_z90lfjg88fzo_0
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0201/MD_2164565307674838913500201.json
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| 2025-04-16T20:11:48 |
DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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Sb16
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/2054/MD_8723377259784243212242054.json
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PO_4899486373941430746349704
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| 2025-04-16T17:19:41 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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data/MD/8258/MD_1271418612909851697008258.json
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DS_z90lfjg88fzo_0
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| 2025-04-17T18:26:41 |
DS_z90lfjg88fzo_0
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data/MD/0201/MD_2164565307674838913500201.json
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| 2025-04-17T17:45:49 |
DS_z90lfjg88fzo_0
| 1 |
VASP
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DFT-PBE
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[
7.1562981605529785,
7.15604305267334,
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] |
[
true,
true,
true
] |
Sb32
|
Sb
|
A
|
[
"Sb"
] |
[
1
] |
[
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | 32 | 1 | 0 |
[
0,
0,
0
] |
[
"Sb_iter0_T232_11_mp-10630_elastic_B222_dist03_4_8"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/8258/MD_1271418612909851697008258.json
| null |
{"materials-project-id": "mp-10630", "hash": "12714186129098516970082589363733719283610698297055881320123986092606121232480198725660362258267884797553420912151004146733397963912425401767005473320979214", "id": "MD_1271418612909851697008258"}
|
{"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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