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DS_g0sb0h7usqw7_0
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PO_1000758771897387758135326
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| 2025-04-16T15:09:29
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd64
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Pd
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A
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PO_1003080206941460164855250
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DS_g0sb0h7usqw7_0
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VASP
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Pd33
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Pd
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A
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PO_1003100964362853079881485
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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Pd32
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Pd
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PO_1003201436109505073532122
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DS_g0sb0h7usqw7_0
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VASP
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DS_g0sb0h7usqw7_0
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Pd7
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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Pd32
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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Pd32
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DS_g0sb0h7usqw7_0
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VASP
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Pd32
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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VASP
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Pd32
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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CO_7197988734855239056943228
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Pd8
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Pd
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1006322812647114959000357
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| 2025-04-16T16:30:02
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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DS_g0sb0h7usqw7_0
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Pd7
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Pd
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/5202/MD_1086845055867124744315202.json
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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| 2025-04-16T17:16:57
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd32
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Pd
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A
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data/MD/8121/MD_1213582242930949697188121.json
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PO_4947562172691090764029355
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| 2025-04-16T18:22:48
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd32
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Pd
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A
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PO_4971097799894527397381817
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| 2025-04-16T21:52:07
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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PO_1007372376478622309434711
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DS_g0sb0h7usqw7_0
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VASP
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Pd32
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Pd
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A
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PO_1007725440843461723332674
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| 2025-04-17T18:06:06
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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data/MD/4932/MD_8623581532269720749474932.json
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DS_g0sb0h7usqw7_0
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PO_1008383218595238437885260
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DS_g0sb0h7usqw7_0
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VASP
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Pd33
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Pd
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/6657/MD_1230274224906835886776657.json
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PO_1008532124849106360882381
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DS_g0sb0h7usqw7_0
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VASP
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DS_g0sb0h7usqw7_0
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Pd32
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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Pd32
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Pd
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A
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DS_g0sb0h7usqw7_0
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Pd8
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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Pd32
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A
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DS_g0sb0h7usqw7_0
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Pd32
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A
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DS_g0sb0h7usqw7_0
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PO_4991119868847470303037619
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| 2025-04-17T18:06:06
|
DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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PO_4981014910857556440558314
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DS_g0sb0h7usqw7_0
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VASP
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DS_g0sb0h7usqw7_0
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Pd7
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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Pd7
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DS_g0sb0h7usqw7_0
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Pd32
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PO_1010040783023797819395121
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| 2025-04-16T16:47:26
|
DS_g0sb0h7usqw7_0
| 1
|
VASP
|
DFT-PBE
| -274.044495
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| null | null | null | null | null | 3.278995
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CO_1245478498283780772783693
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Pd64
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Pd
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A
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[
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/8639/MD_7739915350941659843248639.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_1010083130214456089771746
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| 2025-04-16T20:22:40
|
DS_g0sb0h7usqw7_0
| 1
|
VASP
|
DFT-PBE
| -269.99472
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Pd64
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Pd
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A
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PO_1010437923731828683708409
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| 2025-04-16T18:14:37
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd7
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Pd
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A
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1
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[
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PO_1010506165823583269769529
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| 2025-04-16T15:44:09
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd7
|
Pd
|
A
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1
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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PO_4455712860275296454669870
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| 2025-04-16T16:29:35
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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CO_2327615181413641250171521
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Pd32
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Pd
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A
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[
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4452947873848374519014889
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| 2025-04-16T16:08:59
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd64
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A
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DS_g0sb0h7usqw7_0
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Pd7
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Pd
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A
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PO_1050448183071398791409880
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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Pd32
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A
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DS_g0sb0h7usqw7_0
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VASP
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Pd
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A
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1050530532891234676414383
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| 2025-04-16T20:45:40
|
DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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DS_g0sb0h7usqw7_0
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Pd32
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DS_g0sb0h7usqw7_0
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Pd7
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PO_4486284975620713161548786
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DS_g0sb0h7usqw7_0
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VASP
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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PO_1051047512570903747692967
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| 2025-04-17T17:35:57
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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Pd
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A
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data/MD/8121/MD_1213582242930949697188121.json
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PO_4493135387786146606180461
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| 2025-04-16T18:21:33
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DS_g0sb0h7usqw7_0
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VASP
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DS_g0sb0h7usqw7_0
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Pd32
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DS_g0sb0h7usqw7_0
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VASP
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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PO_1050965611763633825037965
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| 2025-04-16T18:08:08
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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Pd32
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A
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PO_1051281227727940170572022
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| 2025-04-16T21:14:40
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd32
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Pd
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A
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DS_g0sb0h7usqw7_0
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DS_g0sb0h7usqw7_0
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Pd33
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PO_1015646659885275168522170
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DS_g0sb0h7usqw7_0
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VASP
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DFT-PBE
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Pd8
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Pd
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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/5202/MD_1086845055867124744315202.json
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PO_1053295260262714712065538
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DS_g0sb0h7usqw7_0
| 1
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VASP
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DFT-PBE
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Pd32
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Pd
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A
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data/MD/8639/MD_7739915350941659843248639.json
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