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DS_z90lfjg88fzo_0
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VASP
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PO_4575773327876339369699633
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DS_z90lfjg88fzo_0
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PO_4580763122965584711394236
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DS_z90lfjg88fzo_0
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VASP
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data/MD/7363/MD_5459493309020573908757363.json
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DS_z90lfjg88fzo_0
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data/MD/6872/MD_9890234894463978372076872.json
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| 2025-04-17T18:48:22
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DS_z90lfjg88fzo_0
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data/MD/0201/MD_2164565307674838913500201.json
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PO_4566034049386362438663705
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| 2025-04-16T16:08:40
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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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_4581085930267755313658048
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| 2025-04-16T18:59:47
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DS_z90lfjg88fzo_0
| 1
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VASP
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Sb7
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4571513034643385476728912
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| 2025-04-17T18:16:17
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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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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data/MD/8190/MD_1069713809891562784388190.json
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| 2025-04-16T17:20:02
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DS_z90lfjg88fzo_0
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4595872593302585912321373
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| 2025-04-16T17:32:02
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DS_z90lfjg88fzo_0
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Sb17
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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_4588315210866988499282603
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| 2025-04-16T19:03:50
|
DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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CO_8219091586293080640530142
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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_4597005690356980908441943
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DS_z90lfjg88fzo_0
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Sb48
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A
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DS_z90lfjg88fzo_0
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VASP
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data/MD/1784/MD_6196355602623336221701784.json
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PO_4592173420730127061290915
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DS_z90lfjg88fzo_0
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data/MD/8190/MD_1069713809891562784388190.json
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PO_4589192950692006660676558
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| 2025-04-17T17:56:16
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DS_z90lfjg88fzo_0
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VASP
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data/MD/7690/MD_1226566192249423389047690.json
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PO_4574500796811029562862430
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| 2025-04-16T19:57:50
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DS_z90lfjg88fzo_0
| 1
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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_4567536084026962809850649
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| 2025-04-16T21:14:40
|
DS_z90lfjg88fzo_0
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data/MD/6872/MD_9890234894463978372076872.json
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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VASP
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data/MD/9184/MD_5600237606314913062759184.json
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| 2025-04-16T21:28:46
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DS_z90lfjg88fzo_0
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VASP
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Sb8
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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_1017751488663315104547618
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| 2025-04-17T18:37:27
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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Sb16
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A
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1
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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_1056342220332078552209066
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| 2025-04-16T21:21:56
|
DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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data/MD/0984/MD_1175204308310345149590984.json
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PO_1056869222032541739135662
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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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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/7363/MD_5459493309020573908757363.json
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PO_1017970704256837304781552
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| 2025-04-16T18:47:54
|
DS_z90lfjg88fzo_0
| 1
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VASP
|
DFT-PBE
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DS_z90lfjg88fzo_0
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data/MD/0984/MD_1175204308310345149590984.json
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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data/MD/0201/MD_2164565307674838913500201.json
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PO_4620142289892311054751900
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| 2025-04-16T20:25:42
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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VASP
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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data/MD/9184/MD_5600237606314913062759184.json
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PO_4611662483898381670007617
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| 2025-04-16T21:23:51
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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Sb48
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A
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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data/MD/2054/MD_8723377259784243212242054.json
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PO_4602820859454581565647375
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DS_z90lfjg88fzo_0
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VASP
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data/MD/6039/MD_1329574950964754993516039.json
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PO_4601763929801094424112301
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| 2025-04-16T16:01:29
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DS_z90lfjg88fzo_0
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VASP
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Sb8
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4601406005577291243377610
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| 2025-04-16T18:32:29
|
DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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Sb8
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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/6872/MD_9890234894463978372076872.json
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PO_4610122827694694030740155
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| 2025-04-16T17:43:28
|
DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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data/MD/0984/MD_1175204308310345149590984.json
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DS_z90lfjg88fzo_0
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| 2025-04-16T17:06:25
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DS_z90lfjg88fzo_0
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VASP
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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/0201/MD_2164565307674838913500201.json
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PO_1059553368855579246290541
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| 2025-04-16T15:23:14
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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CO_9857920492928905769353183
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/7690/MD_1226566192249423389047690.json
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DS_z90lfjg88fzo_0
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VASP
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data/MD/0773/MD_6774213934135675701540773.json
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PO_1058752504691551617989861
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| 2025-04-16T20:58:52
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DS_z90lfjg88fzo_0
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VASP
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Sb16
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/7690/MD_1226566192249423389047690.json
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PO_1018805668318007224653683
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| 2025-04-16T15:43:59
|
DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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CO_1234593628628246062289827
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Sb16
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PO_1059057013025468218385151
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DS_z90lfjg88fzo_0
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PO_1059021824556125622686659
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| 2025-04-17T17:45:49
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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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PO_1059009141263958450349452
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| 2025-04-16T18:11:11
|
DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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Sb8
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A
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1
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/6039/MD_1329574950964754993516039.json
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PO_1058958950715841475753736
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| 2025-04-16T17:45:47
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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PO_1019035971957849636480263
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| 2025-04-16T15:41:29
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DS_z90lfjg88fzo_0
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PO_1019279514336561054924670
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| 2025-04-16T17:21:42
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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data/MD/8190/MD_1069713809891562784388190.json
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| 2025-04-16T17:45:01
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DS_z90lfjg88fzo_0
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data/MD/6872/MD_9890234894463978372076872.json
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PO_1058282959786542622366478
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| 2025-04-16T21:44:51
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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A
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DS_z90lfjg88fzo_0
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data/MD/0201/MD_2164565307674838913500201.json
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PO_4643161130306675856433501
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DS_z90lfjg88fzo_0
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| 2025-04-16T21:17:22
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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Sb8
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data/MD/6039/MD_1329574950964754993516039.json
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PO_4645584765409229961714707
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| 2025-04-16T21:43:25
|
DS_z90lfjg88fzo_0
| 1
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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/8190/MD_1069713809891562784388190.json
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PO_4645707811174573300692421
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| 2025-04-16T17:45:43
|
DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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| 2025-04-16T21:04:12
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DS_z90lfjg88fzo_0
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data/MD/9184/MD_5600237606314913062759184.json
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PO_4636531633104308445006288
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| 2025-04-16T15:09:30
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DS_z90lfjg88fzo_0
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VASP
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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| 2025-04-16T18:55:31
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DS_z90lfjg88fzo_0
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VASP
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data/MD/6872/MD_9890234894463978372076872.json
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PO_4629270892923876372662182
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| 2025-04-17T18:26:41
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DS_z90lfjg88fzo_0
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VASP
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data/MD/7380/MD_1531921544206064124007380.json
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PO_4639635396874006193787010
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| 2025-04-16T15:09:29
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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/0647/MD_3072275598411872336810647.json
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PO_4638703883720098713112620
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| 2025-04-16T17:32:32
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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Sb32
|
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/8258/MD_1271418612909851697008258.json
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PO_1020147959014144248595821
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| 2025-04-16T16:05:52
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
| -53.264614
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Sb16
|
Sb
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A
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1
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/9184/MD_5600237606314913062759184.json
| null |
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PO_1020574378917080795329152
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| 2025-04-16T17:14:08
|
DS_z90lfjg88fzo_0
| 1
|
VASP
|
DFT-PBE
| -25.13854
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data/MD/0984/MD_1175204308310345149590984.json
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DS_z90lfjg88fzo_0
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PO_1060979027828387590033384
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DS_z90lfjg88fzo_0
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| 2025-04-16T20:27:55
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DS_z90lfjg88fzo_0
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data/MD/2054/MD_8723377259784243212242054.json
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| 2025-04-16T18:26:34
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DS_z90lfjg88fzo_0
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data/MD/7380/MD_1531921544206064124007380.json
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PO_1019993173301035348413008
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| 2025-04-16T21:12:08
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DS_z90lfjg88fzo_0
| 1
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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_1019918054336549824157391
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| 2025-04-16T18:16:41
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DS_z90lfjg88fzo_0
| 1
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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PO_1060511486801750428350129
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| 2025-04-16T17:55:33
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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Sb47
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A
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data/MD/0984/MD_1175204308310345149590984.json
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PO_1060503342746944266065623
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| 2025-04-16T15:43:44
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DS_z90lfjg88fzo_0
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VASP
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DFT-PBE
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DS_z90lfjg88fzo_0
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DS_z90lfjg88fzo_0
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PO_1061990453645099282241106
|
10619904536450992822411063368064060629958500192702683631657970485724855921184418033855940205336498403591479500902367678841366137398888151206844223378844976
| 2025-04-16T19:02:01
|
DS_z90lfjg88fzo_0
| 1
|
VASP
|
DFT-PBE
| -58.635807
|
[
[
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[
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[
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-1.4168039560317993,
0.46999698877334595
]
] | true
| null | null | null | null | null | 0.874361
| 0.476205
| null |
CO_8066246284734400716138550
|
8066246284734400716138550209513063771606128531001630290553963087934276522292990388914885326819246069209637946358315268574650132052537098823986245718427435
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0
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[
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5.022686004638672
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[
3.123929023742676,
5.134153842926025,
1.807826042175293
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[
3.182884931564331,
5.785737037658691,
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[
4.772793769836426,
3.321885108947754,
3.449979066848755
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[
3.2620689868927,
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7.66722297668457
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[
3.282533884048462,
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[
1.894232988357544,
7.804285049438477,
7.64850378036499
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[
0.49880701303482056,
1.9547040462493896,
1.6344749927520752
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[
0.02102700062096119,
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3.370867967605591
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[
4.930802822113037,
7.644771099090576,
7.805027961730957
]
] |
[
true,
true,
true
] |
Sb15
|
Sb
|
A
|
[
"Sb"
] |
[
1
] |
[
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | 15
| 1
| 0
|
[
0,
0,
0
] |
[
"Sb_iter2_1_mp-1179605_vacancies_Vac_0_232_3"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/9184/MD_5600237606314913062759184.json
| null |
{"materials-project-id": "mp-1179605", "temperature": 232, "hash": "5600237606314913062759184532041184930148928668298642204251091897050525900215824123586006219231748798570857753141392568500671646775355614525344529379511568", "id": "MD_5600237606314913062759184"}
|
{"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"}
|
PO_1061542235743246663257213
|
10615422357432466632572130842529755215929190859426744389139560122525876300122863776554620829738273059022844846122766820755075929207313682201883761552135246
| 2025-04-16T20:58:52
|
DS_z90lfjg88fzo_0
| 1
|
VASP
|
DFT-PBE
| -29.287695
|
[
[
2.7063043117523193,
0.2779788672924042,
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[
2.520063877105713,
0.25090688467025757,
0.015992479398846626
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[
-2.3725130558013916,
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[
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[
0.1920350044965744,
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],
[
0.026218999177217484,
-0.056471001356840134,
-1.9907649755477905
]
] | true
| null | null | null | null | null | 2.968179
| 2.657455
| null |
CO_7855149639798025482673761
|
7855149639798025482673761941442194919766237022469437328029073695084093603802949889308391921539334931046859966474013463782003437895631938674317900725589836
|
2885806348823854298890454576501828002914293883559974234955739989823320809265909898100298705101265110084705234945744866717148215704340885344559387364604742
|
[
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0,
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[
0,
8.066999435424805,
0
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[
0,
0,
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[
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0.022159000858664513,
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6.194142818450928
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[
0.04051399976015091,
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0.0020459999796003103,
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3.0963430404663086,
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3.0862491130828857,
3.1042370796203613,
0.0009239999926649034
],
[
3.0593008995056152,
3.0830628871917725,
3.1106159687042236
]
] |
[
true,
true,
true
] |
Sb8
|
Sb
|
A
|
[
"Sb"
] |
[
1
] |
[
51,
51,
51,
51,
51,
51,
51,
51
] | 8
| 1
| 0
|
[
0,
0,
0
] |
[
"Sb_iter0_T232_2_mp-133_elastic_B222_dist03_2_8"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/7380/MD_1531921544206064124007380.json
| null |
{"materials-project-id": "mp-133", "hash": "1531921544206064124007380567577226770532996707798244072992707761808477953927453709011479087869652669633370820609163606794407949159849602282969049486806577", "id": "MD_1531921544206064124007380"}
|
{"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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