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string | configuration_metadata_path
string | hash
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/9826/MD_1129643401849015289939826.json
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{"kinetic-energy": 0.080415, "temperature": 9.87, "hash": "11296434018490152899398266338884868675794855186509856421263876834650819657362405163730342916611296672856012829571620030597821805995000026989724106774402395", "id": "MD_1129643401849015289939826"}
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PO_4918756702197499733105041
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| 2025-04-16T20:40:07
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/6745/MD_3869193814367450516756745.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/3909/MD_3104978298140980494163909.json
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DS_paehju6qhaym_0
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VASP
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/7847/MD_2319420627482799823287847.json
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| 2025-04-16T18:28:12
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8656/MD_1319936086274512818138656.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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| 2025-04-16T21:22:14
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DS_paehju6qhaym_0
| 1
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VASP
|
DFT-PBE
| -364.824424
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[] | null | null | null | null | null | null | 3.168113
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true,
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/5437/MD_3642449804373264242445437.json
| null |
{"kinetic-energy": 17.405772, "temperature": 2137.4, "hash": "3642449804373264242445437238450809782530828868842601188830737481698882162375009421888888056720958055454626195147961173664420381032411088919673289149758449", "id": "MD_3642449804373264242445437"}
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PO_4961858547811583431036011
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| 2025-04-16T17:55:33
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -359.151586
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[] | null | null | null | null | null | null | 2.293354
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1266/MD_1137770894854761376781266.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_4976901446318141877366978
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| 2025-04-16T21:38:17
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8488/MD_2253202888170521825698488.json
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PO_4444188790733321915213850
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| 2025-04-16T17:32:46
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/2744/MD_8072560419051048142132744.json
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DS_paehju6qhaym_0
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Si64
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0805/MD_5582692710912196603630805.json
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PO_4461228964922185365470884
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| 2025-04-16T20:11:35
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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| 2025-04-16T16:05:18
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DS_paehju6qhaym_0
| 1
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VASP
|
DFT-PBE
| 559.832293
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[] | null | null | null | null | null | null | 2.061762
| 0.628694
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/1513/MD_1115354642855228903011513.json
| null |
{"kinetic-energy": 3.889885, "temperature": 477.67, "hash": "1115354642855228903011513750641502795297816757271596023286163726439129673044957634884822363838355640516152499136985509948722522800325910018143271992554087", "id": "MD_1115354642855228903011513"}
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PO_1013536266304952977278172
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| 2025-04-16T18:08:14
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -364.803818
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8030/MD_3485416872154637225828030.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/1472/MD_8693304532435709715951472.json
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PO_4494598303407115340480601
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| 2025-04-16T17:54:01
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
| -364.807051
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[
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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Si64
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1138/MD_1636971076145860743371138.json
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PO_4523212314888350921485314
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/8251/MD_4899356088656107258418251.json
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DS_paehju6qhaym_0
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Si64
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/3404/MD_1007344240589922637563404.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/5319/MD_1287074892607070451345319.json
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PO_1052250259740034202142861
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| 2025-04-16T18:27:12
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0614/MD_9654935279210186666310614.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/5201/MD_1075753585685645203875201.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/7371/MD_1006157872194398964337371.json
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PO_4570871761915565213656504
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/3987/MD_9172833508878584234783987.json
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DS_paehju6qhaym_0
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VASP
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/1884/MD_1269399030631384240131884.json
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PO_1055125147223972978917353
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| 2025-04-16T17:45:43
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
| 54.51004
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data/MD/7406/MD_1238957606258008069967406.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/0669/MD_1021804022916790708730669.json
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PO_1055838715538912289705719
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/2865/MD_2715062809906288961462865.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/6134/MD_1254545027794097172246134.json
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DS_paehju6qhaym_0
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VASP
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/5879/MD_8358769438111330391405879.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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DS_paehju6qhaym_0
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0452/MD_1930307167140695321440452.json
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PO_1058844236361902312041529
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/2359/MD_5147637236317349036512359.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0203/MD_1949768352615802151780203.json
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PO_4634709246239115972011324
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_4677914016987907899572220
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/9548/MD_1215596310796688782759548.json
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| 2025-04-16T18:54:22
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/0515/MD_1174271403330551270390515.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4217/MD_1230789988281451735814217.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/3150/MD_1302363668502511692303150.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/9565/MD_7634244435508569996649565.json
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DS_paehju6qhaym_0
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VASP
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/5774/MD_7449277656217190189165774.json
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PO_4712192925281552713403977
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| 2025-04-16T17:13:47
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1906/MD_9061460594443732320701906.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/6447/MD_5482854025994001866026447.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/9212/MD_6757507913151227439989212.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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PO_1023796006700472782391510
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| 2025-04-16T17:08:25
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4723/MD_2478470066761142600394723.json
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| 2025-04-16T18:28:43
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/6863/MD_8649010183855481551236863.json
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DS_paehju6qhaym_0
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Si64
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/9407/MD_6862114612970075408549407.json
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PO_1024788016273200569111780
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| 2025-04-16T16:30:40
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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| 2025-04-16T18:36:30
|
DS_paehju6qhaym_0
| 1
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VASP
|
DFT-PBE
| -364.808597
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| 1.464301
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[
true,
true,
true
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Si64
|
Si
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A
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[
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| 1
| 3
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[
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[
"Si_md_766"
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/6338/MD_3815565537882885159506338.json
| null |
{"kinetic-energy": 16.402985, "temperature": 2014.26, "hash": "3815565537882885159506338208796356092607140237341242590990029461242192398630343067114206971662093803407176467413616291919034814784396423263119520948705267", "id": "MD_3815565537882885159506338"}
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PO_4520965285778821981788675
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| 2025-04-16T21:35:56
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -38.264139
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[] | null | null | null | null | null | null | 0.353718
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data/MD/5081/MD_3913619186549169008955081.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/4526/MD_3741768451212642821044526.json
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PO_1025919362160372271729191
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| 2025-04-16T18:26:51
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1669/MD_1397037281212766097601669.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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Si64
|
Si
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A
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| 1
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[
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/6841/MD_9769484292389636171846841.json
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PO_5019878924917926868640227
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| 2025-04-16T19:49:36
|
DS_paehju6qhaym_0
| 1
|
VASP
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DFT-PBE
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/1822/MD_7737926280664324400951822.json
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PO_5016755815500080278448129
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| 2025-04-16T21:23:51
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/3688/MD_1916511167763929015053688.json
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/1583/MD_1184475905612691540321583.json
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DS_paehju6qhaym_0
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VASP
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data/MD/6396/MD_1648461040421136896076396.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
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data/MD/7329/MD_8487339625416203546227329.json
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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data/MD/1661/MD_5577206721215149207031661.json
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DS_paehju6qhaym_0
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VASP
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DFT-PBE
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data/MD/5173/MD_9167889565371745984705173.json
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DS_paehju6qhaym_0
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Si64
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Si
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A
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/7185/MD_1836951366278611385567185.json
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PO_1075232185419096667922263
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| 2025-04-16T18:27:12
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DS_paehju6qhaym_0
| 1
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VASP
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DFT-PBE
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Si64
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Si
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A
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[
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[
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/4705/MD_6958963459716344537704705.json
| null |
{"kinetic-energy": 3.646933, "temperature": 447.84, "hash": "6958963459716344537704705807213554848183412693821715278954364841166256380558146141326153431861425227918640954707823034683373619465827422189646146657634264", "id": "MD_6958963459716344537704705"}
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PO_1075333693761245121877108
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| 2025-04-16T18:11:35
|
DS_paehju6qhaym_0
| 1
|
VASP
|
DFT-PBE
| -269.97753
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[] | null | null | null | null | null | null | 1.107652
| 0.539169
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CO_7373211530205613223882230
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true
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Si64
|
Si
|
A
|
[
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[
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| 1
| 3
|
[
1,
1,
1
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[
"Si_md_635"
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data/MD/1661/MD_5577206721215149207031661.json
|
data/MD/3845/MD_9630883219933165185473845.json
| null |
{"kinetic-energy": 2.302367, "temperature": 282.73, "hash": "9630883219933165185473845947590853247607153885393001252749888308299950162802779786311042671187478355394979967637247856636474620864540713125863643006914971", "id": "MD_9630883219933165185473845"}
|
{"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"}
|
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