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22,
22,
22,
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22,
22,
22,
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22,
22,
22,... | 177 | 3 | 0 | [
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"NEB_Li5+x__neb_hop_2__03_2"
] | null | data/MD/5234/MD_1094930711201526751785234.json | null | null | null | {"input": {"incar": {"ALGO": "Fast", "EDIFF": "1e-05", "EDIFFG": "-0.05", "ENCUT": "520", "FDSTEP": "0.005", "IBRION": "3", "ICHARG": "2", "ILBFGSMEM": "20", "IMAGES": "3", "INVCURV": "0.01", "IOPT": "1", "ISIF": "2", "ISMEAR": "0", "ISPIN": "2", "ISYM": "0", "LASPH": "True", "LAUTOSCALE": "True", "LCHARG": "False", "LCLIMB": "False", "LGLOBAL": "True", "LLINEOPT": "False", "LORBIT": "11", "LPLANE": "True", "LREAL": "False", "LWAVE": "False", "MAGMOM": "177*0.6", "MAXMOVE": "0.2", "NELM": "200", "NELMIN": "6", "NPAR": "4", "NSIM": "4", "NSW": "200", "POTIM": "0.0", "PREC": "Accurate", "SIGMA": "0.05", "SPRING": "-5.0"}, "kpoints": "Fully automatic kpoint scheme\n0\nGamma\n1 1 1\n", "potcars": ["PAW_PBE O 08Apr2002", "PAW_PBE Ti 08Apr2002", "PAW_PBE Li 17Jan2003"]}, "hash": "10949307112015267517852342390991107734407249126113360371672596216915031996086957248406360915855502847097160871697613808538913131610070243995536174035382359", "id": "MD_1094930711201526751785234"} |
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