{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.333387562637697, -7.201541729354435e-18, 0.0, -1.2357304061665746e-18, 7.339317873530323, 0.0, 3.186410786060177e-17, 0.0, 16.515812649245383]]}, "__ase_objtype__": "cell"}, "ctime": 24.98852302674968, "dipole": {"__ndarray__": [[3], "float64", [-5.416301260583062e-10, -8.278747443773562e-09, 2.7709861208404236e-12]]}, "energy": -20.236117135544042, "free_energy": -20.24273107124407, "initial_magmoms": {"__ndarray__": [[6], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.98852302674968, "numbers": {"__ndarray__": [[6], "int64", [32, 32, 52, 52, 52, 52]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[6, 3], "float64", [3.66669378, 0.0, 8.25790632, 0.0, 3.66965894, 8.25790632, 0.98435633, 0.98545695, 8.25935522, 4.65100362, 2.6841745, 8.25642207, 6.34903124, 6.35386093, 8.25645743, 2.68238394, 4.65514337, 8.25939058]]}, "unique_id": "965cdf5a1804cdd13b6e40fe878ef6bf", "user": "cmr"}, "ids": [1], "nextid": 2}