{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.114010590438346, 2.763225472503834e-22, 0.0, -1.557005295219173, 2.6968122789733866, 0.0, 4.023929307384199e-21, 7.64939390264538e-47, 17.17617052436032]]}, "__ase_objtype__": "cell"}, "ctime": 24.99420344254438, "dipole": {"__ndarray__": [[3], "float64", [5.130102760438044e-09, -2.9618688274685934e-09, -1.722544986338727e-08]]}, "energy": -27.682218191800658, "free_energy": -27.68685081091907, "initial_magmoms": {"__ndarray__": [[3], "float64", [1.0, 1.0, 1.0]]}, "magmom": 0.9973297186042291, "magmoms": {"__ndarray__": [[3], "float64", [0.75700959, 0.02782709, 0.02782709]]}, "mtime": 24.99420344254438, "numbers": {"__ndarray__": [[3], "int64", [41, 8, 8]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[3, 3], "float64", [0.0, 0.0, 8.5880853, 1.5570053, 0.89893743, 9.62139155, -0.0, 1.79787485, 7.55477909]]}, "unique_id": "d4d8d49ef0fda6f7c3d99e62e913f702", "user": "cmr"}, "ids": [1], "nextid": 2}