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| 2025-04-16T18:47:56
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DS_ofpcyxez6xsc_0
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data/MD/8121/MD_1213582242930949697188121.json
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PO_1001962989409629014759022
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| 2025-04-16T16:54:22
|
DS_ofpcyxez6xsc_0
| 1
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VASP
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DFT-PBE
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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PO_1003258992004889002275315
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DS_ofpcyxez6xsc_0
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VASP
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/0192/MD_2535251086695107997770192.json
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PO_1003276495960460825884261
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| 2025-04-16T18:22:53
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DS_ofpcyxez6xsc_0
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VASP
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DFT-PBE
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PO_1000896255528174018467157
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DS_ofpcyxez6xsc_0
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data/MD/6346/MD_3270740985784392802446346.json
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PO_1001205798827337059666437
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| 2025-04-17T18:37:27
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DS_ofpcyxez6xsc_0
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VASP
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Ti16
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Ti
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A
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data/MD/7095/MD_4700643160443096158367095.json
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PO_1001467950475037218639499
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| 2025-04-16T18:07:48
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DS_ofpcyxez6xsc_0
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VASP
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DFT-PBE
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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data/MD/8494/MD_1056947723263677051258494.json
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PO_4902405398143497595001104
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| 2025-04-16T21:13:40
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DS_ofpcyxez6xsc_0
| 1
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VASP
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DFT-PBE
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DS_ofpcyxez6xsc_0
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PO_4913348030307396298619934
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DS_ofpcyxez6xsc_0
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Ti16
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Ti
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data/MD/8494/MD_1056947723263677051258494.json
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PO_4913552887967714527197067
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| 2025-04-16T15:45:48
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DS_ofpcyxez6xsc_0
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VASP
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DFT-PBE
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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data/MD/5014/MD_4499966002766413739715014.json
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| 2025-04-17T18:16:17
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DS_ofpcyxez6xsc_0
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VASP
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data/MD/4378/MD_2275595426848916713834378.json
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| 2025-04-16T17:47:42
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DS_ofpcyxez6xsc_0
| 1
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VASP
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DFT-PBE
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DS_ofpcyxez6xsc_0
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PO_1005699886394008449681196
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DS_ofpcyxez6xsc_0
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Ti32
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DS_ofpcyxez6xsc_0
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Ti17
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data/MD/5515/MD_7657186183825364949515515.json
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| 2025-04-17T17:56:16
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DS_ofpcyxez6xsc_0
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VASP
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Ti24
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Ti
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A
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data/MD/0173/MD_4378224248235163527150173.json
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PO_1004800485474374675464764
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| 2025-04-16T18:44:52
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DS_ofpcyxez6xsc_0
| 1
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VASP
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DFT-PBE
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DS_ofpcyxez6xsc_0
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data/MD/6346/MD_3270740985784392802446346.json
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PO_1005882314635689786404234
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| 2025-04-16T20:14:25
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DS_ofpcyxez6xsc_0
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VASP
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DS_ofpcyxez6xsc_0
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data/MD/5515/MD_7657186183825364949515515.json
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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VASP
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data/MD/3316/MD_4423231374048005328523316.json
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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data/MD/6346/MD_3270740985784392802446346.json
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DS_ofpcyxez6xsc_0
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data/MD/0173/MD_4378224248235163527150173.json
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| 2025-04-16T16:28:54
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DS_ofpcyxez6xsc_0
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Ti16
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Ti
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/5454/MD_3395828273234475341105454.json
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PO_4950645679663782909215832
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| 2025-04-16T18:54:39
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DS_ofpcyxez6xsc_0
| 1
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VASP
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DFT-PBE
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data/MD/7095/MD_4700643160443096158367095.json
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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PO_4975126620847967434458336
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| 2025-04-16T20:29:58
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DS_ofpcyxez6xsc_0
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| 2025-04-16T21:09:01
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DS_ofpcyxez6xsc_0
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data/MD/4378/MD_2275595426848916713834378.json
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| 2025-04-16T17:39:46
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DS_ofpcyxez6xsc_0
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VASP
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DFT-PBE
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data/MD/7095/MD_4700643160443096158367095.json
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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Ti16
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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PO_1007250463747395873071992
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DS_ofpcyxez6xsc_0
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Ti8
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A
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PO_1007478255270668529264964
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| 2025-04-16T19:56:42
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DS_ofpcyxez6xsc_0
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VASP
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Ti17
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Ti
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data/MD/5515/MD_7657186183825364949515515.json
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PO_1007453641409462579374777
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| 2025-04-16T17:45:46
|
DS_ofpcyxez6xsc_0
| 1
|
VASP
|
DFT-PBE
| -407.840881
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| null | null | null | null | null | 6.71887
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CO_6050297166611594487481727
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Ti64
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Ti
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A
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0192/MD_2535251086695107997770192.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_1007447361790068685421671
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| 2025-04-16T20:05:02
|
DS_ofpcyxez6xsc_0
| 1
|
VASP
|
DFT-PBE
| -234.93634
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DS_ofpcyxez6xsc_0
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DS_ofpcyxez6xsc_0
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Ti16
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Ti
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A
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data/MD/7095/MD_4700643160443096158367095.json
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PO_4973912302280935389031460
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DS_ofpcyxez6xsc_0
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VASP
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DFT-PBE
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data/MD/5454/MD_3395828273234475341105454.json
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PO_4985262044986709916566568
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DS_ofpcyxez6xsc_0
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data/MD/8494/MD_1056947723263677051258494.json
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PO_4985381074063493812176445
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| 2025-04-16T20:11:56
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DS_ofpcyxez6xsc_0
| 1
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VASP
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/4378/MD_2275595426848916713834378.json
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PO_4982483540950706266659000
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DS_ofpcyxez6xsc_0
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PO_4987440445808137072441835
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| 2025-04-16T20:14:53
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DS_ofpcyxez6xsc_0
| 1
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VASP
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DFT-PBE
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Ti16
|
Ti
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A
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[
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| 1
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data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/6346/MD_3270740985784392802446346.json
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PO_4990678792901448275006052
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| 2025-04-16T17:50:00
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DS_ofpcyxez6xsc_0
| 1
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VASP
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DFT-PBE
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Ti7
|
Ti
|
A
|
[
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[
1
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[
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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/2752/MD_6552290158629674642822752.json
| null |
{"temperature": 1900, "hash": "6552290158629674642822752597121740369556057873377571537480277943120611057490678982523757587521701690118089154910709080155176414894246653321920250128672820", "id": "MD_6552290158629674642822752"}
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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_4433775698381731920631588
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| 2025-04-16T16:10:10
|
DS_ofpcyxez6xsc_0
| 1
|
VASP
|
DFT-PBE
| -183.876984
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| null | null | null | null | null | 1.146011
| 0.755431
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CO_3110830039856121260767145
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true
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Ti24
|
Ti
|
A
|
[
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[
1
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[
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[
"Ti_iter2_Ti_iter2_0_mp-72_elastic_B222_dist03_6_475_14"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0173/MD_4378224248235163527150173.json
| null |
{"materials-project-id": "mp-72", "temperature": 475, "hash": "4378224248235163527150173936509989093566371745349683590061121670437974077792676498264037284156959884283722478487995652807656219052833730247791506021468026", "id": "MD_4378224248235163527150173"}
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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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