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] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/7518/MD_1210149765697517309887518.json | null | {"temperature": 525, "hash": "12101497656975173098875184047855931446224718436092089661545130442223057798317910340368506192847432000730306899114793466510119978060564034489577350941692128", "id": "MD_1210149765697517309887518"} | {"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... |
PO_4587504158794453217415658 | 4587504158794453217415658787816858867710517269792414324093341100360938506904999835314019853918940762730208710383350744114858821085469634766356203400431549 | 2025-04-16T20:48:21 | DS_0zgz34a90a6i_0 | 1 | VASP | DFT-PBE | -95.269646 | [
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PO_4589854311590079954597689 | 4589854311590079954597689911787872175082595914879040356957343343960477847777221235056301573913404121777126462425106948738078823689802753912754739784131231 | 2025-04-16T21:21:56 | DS_0zgz34a90a6i_0 | 1 | VASP | DFT-PBE | -173.289612 | [
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[... | [
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PO_1018055174424358467144326 | 10180551744243584671443263147122566525010217100067723049366250693525181017107240375004571408286982288605530110187812032419294922050073067638209448972658488 | 2025-04-16T21:37:17 | DS_0zgz34a90a6i_0 | 1 | VASP | DFT-PBE | -85.971298 | [
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4.068607807... | [
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] | null | data/MD/8121/MD_1213582242930949697188121.json | data/MD/5202/MD_1086845055867124744315202.json | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} | {"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... |
PO_1058063905078942836284367 | 10580639050789428362843673738218467351396366466241788477453567565899295084494109042510756629146798567602432817374776197429857274007101858264601629066929238 | 2025-04-16T16:57:14 | DS_0zgz34a90a6i_0 | 1 | VASP | DFT-PBE | -191.710754 | [
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