{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.3382147121066907, -1.2983399594600026e-18, 0.0, 1.7026368274280163e-16, 3.3382147121066885, 0.0, -1.80774008688849e-17, 6.937281641339345e-33, 37.206856]]}, "__ase_objtype__": "cell"}, "ctime": 24.891336207804375, "dipole": {"__ndarray__": [[3], "float64", [-1.973071911829557e-15, 1.3396672177548714e-14, -1.520355023003486e-13]]}, "energy": -53.59158948633056, "forces": {"__ndarray__": [[6, 3], "float64", [-0.0, -0.0, 0.0029331, 0.0, -0.0, -0.00216505, -0.0, -0.0, 0.00059271, 0.0, 0.0, -0.0029331, -0.0, 0.0, 0.00216505, 0.0, 0.0, -0.00059271]]}, "free_energy": -53.60731641626292, "initial_magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.891336207804375, "numbers": {"__ndarray__": [[6], "int64", [41, 16, 41, 41, 16, 41]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [1.66910736, 1.66910736, 16.13192655, -0.0, -0.0, 15.1614841, -0.0, 0.0, 17.84460923, 0.0, -0.0, 21.07492945, 1.66910736, 1.66910736, 22.0453719, 1.66910736, 1.66910736, 19.36224677]]}, "stress": {"__ndarray__": [[6], "float64", [-2.4376580721629548e-05, -2.4376580721629548e-05, 3.5802094966297874e-05, 7.938639075046853e-28, -1.1848367786156935e-23, 0.0]]}, "unique_id": "5771db231bed6dc746153c013d6ff891", "user": "cmr"}, "ids": [1], "nextid": 2}