{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [2.894925569044477, -2.255461561712781e-18, 0.0, -4.896486426694744e-18, 5.269702844316911, 0.0, 5.1360366516996794e-18, 0.0, 17.28974514]]}, "__ase_objtype__": "cell"}, "ctime": 24.994075727432964, "dipole": {"__ndarray__": [[3], "float64", [2.1928088943719774e-08, -0.8572714191786897, -0.010083834620011453]]}, "energy": -36.12087632876079, "free_energy": -36.12580776325545, "initial_magmoms": {"__ndarray__": [[4], "float64", [0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.994075727432964, "numbers": {"__ndarray__": [[4], "int64", [41, 8, 41, 8]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [0.0, 0.02947775, 8.70911027, -0.0, 1.819962, 9.76894909, 1.44746279, 2.42854437, 8.48902357, -0.0, 3.62549523, 7.61248546]]}, "unique_id": "5395a627d213cad1596ac440a37c76eb", "user": "cmr"}, "ids": [1], "nextid": 2}