{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [20.46960845140505, 0.0, 0.0, 0.0, 20.399092709338877, 0.0, 0.0, 0.0, 6.029469987835609]]}, "__ase_objtype__": "cell"}, "ctime": 24.378506934862124, "dipole": {"__ndarray__": [[3], "float64", [-0.01552293370998934, 0.12473615708627778, -10.127625544104674]]}, "energy": -713.9892111771613, "forces": {"__ndarray__": [[9, 3], "float64", [0.0019187654503828697, 0.005812806725812011, 0.00444757657531607, -6.294848820130643e-05, -0.0008313125623832844, -0.006299176424657103, -0.0005016654999599923, -0.0049350431011486815, 0.007640348329884001, -0.003957065754794949, -0.0008224729366800403, -0.0017814598010721973, -0.004735112927511528, 0.0028021738698221403, -0.0026643756427768596, 0.0026315154452268247, -0.0020557749411394865, 0.0023777981291879906, 0.0017830340547581023, 0.008389420299811184, -0.0033328828176083015, -0.00688952823731861, -0.0025905601216441114, -0.0032159886987172576, 0.004124163710905147, -0.005070953988033073, 0.0020559632445457283]]}, "free_energy": -713.9892112063237, "initial_magmoms": {"__ndarray__": [[9], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[9], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.378506934862124, "numbers": {"__ndarray__": [[9], "int64", [35, 35, 35, 22, 22, 35, 35, 35, 8]]}, "pbc": {"__ndarray__": [[3], "bool", [false, false, true]]}, "positions": {"__ndarray__": [[9, 3], "float64", [13.079834961820298, 9.272992960537767, 2.3253645077872473, 10.661730794140373, 7.533501071621678, 0.4065403593157667, 9.161447137700907, 8.839029899975841, 3.3337298523986796, 9.752377543768251, 11.197185637223686, 4.148514925658464, 10.86967465389418, 9.673467254401153, 1.520664305429759, 8.507548535264856, 10.494893312720869, 0.2944823473625433, 8.456671672575151, 13.15385464616621, 3.8708196884074866, 11.82788403345911, 11.225889709045347, -0.45771797869522096, 10.651202943041712, 11.209698871108301, 2.6247838965544124]]}, "unique_id": "7c691cc31008cecdd0dfabe05adc1f68", "user": "cmr"}, "ids": [1], "nextid": 2}