{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.328672063616919, -9.494861834424812e-21, 0.0, -1.6643360318084595, 2.8827801289769206, 0.0, 1.0295396837013339e-19, 0.0, 20.98410326181106]]}, "__ase_objtype__": "cell"}, "ctime": 24.8576092326791, "dipole": {"__ndarray__": [[3], "float64", [-3.889910155462129, 2.251025863717892, 2.099642912488966e-07]]}, "energy": -28.616705222023846, "free_energy": -28.631154539620177, "initial_magmoms": {"__ndarray__": [[4], "float64", [0.10461172, 0.01222868, 0.01222861, 0.10461124]]}, "magmom": 0.3509568816606219, "magmoms": {"__ndarray__": [[4], "float64", [0.10469741, 0.01223007, 0.01223001, 0.10469764]]}, "mtime": 24.8576092326791, "numbers": {"__ndarray__": [[4], "int64", [41, 34, 34, 41]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [1.819e-05, 1.92176353, 11.81759229, 1.66443059, 0.96139413, 7.49804931, -9.461e-05, 1.018e-05, 13.48605659, -1.816e-05, 1.92228085, 9.16651058]]}, "unique_id": "ac68fadc5ea0d09b94147c52a27b629e", "user": "cmr"}, "ids": [1], "nextid": 2}