{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.4757160277605808, -0.2839600351069849, 2.295014614422372e-16, -1.4110184095945166, 3.7788682565929728, 2.405019576892035e-16, 7.753638241224398e-16, -3.097783495007801e-17, 18.125812345309317]]}, "__ase_objtype__": "cell"}, "ctime": 24.797820867902654, "dipole": {"__ndarray__": [[3], "float64", [-0.016218050490745706, -3.1742768226864286, 0.050807847403145805]]}, "energy": -8.227091699657242, "forces": {"__ndarray__": [[3, 3], "float64", [0.00017533, -0.00462865, -0.00404849, -0.00109464, 0.00229502, -0.0009383, 0.00091437, 0.00234309, 0.00482485]]}, "free_energy": -8.23601080608725, "initial_magmoms": {"__ndarray__": [[3], "float64", [0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[3], "float64", [0.0, 0.0, 0.0]]}, "mtime": 24.797820867902654, "numbers": {"__ndarray__": [[3], "int64", [47, 17, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[3, 3], "float64", [-0.62912783, 3.01925085, 9.09021065, 1.05583018, 2.23538499, 7.5, 2.59624244, 0.02999656, 10.62581235]]}, "stress": {"__ndarray__": [[6], "float64", [-2.2298051174821033e-06, -1.2910113456060563e-05, -1.4380356139815161e-05, 1.3007778124850073e-06, -1.3574450909943321e-05, -9.000467616296198e-06]]}, "unique_id": "deabea53bbf7e017214e6e481733c952", "user": "cmr"}, "ids": [1], "nextid": 2}