{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.070813483130039, 2.140251674918005e-19, 0.0, 4.874789122717233e-16, 7.9666261670163845, 0.0, 1.1125759958055494e-15, 1.1125759958055494e-15, 18.169744886120114]]}, "__ase_objtype__": "cell"}, "ctime": 24.926438648568638, "dipole": {"__ndarray__": [[3], "float64", [1.1127954683861967, 21.249834249132515, -0.00015396292425556485]]}, "energy": -25.385678595019932, "free_energy": -25.38568762000273, "initial_magmoms": {"__ndarray__": [[8], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.926438648568638, "numbers": {"__ndarray__": [[8], "int64", [53, 53, 34, 34, 34, 34, 29, 29]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[8, 3], "float64", [5.00483504, 7.80104497, 7.30554117, 2.46972382, 7.78930377, 10.86420712, 2.86464501, 4.89528507, 8.1297694, 0.32985155, 2.72876536, 10.03986764, 4.59600723, 4.89734732, 10.04384549, 2.0611514, 2.72655916, 8.12593144, 3.73025345, 1.28345392, 9.0856756, 1.19388867, 6.34083597, 9.08369414]]}, "tags": {"__ndarray__": [[8], "int32", [0, 0, 0, 0, 0, 0, 0, 0]]}, "unique_id": "a3562a94c4e9be70100872f164801ea3", "user": "cmr"}, "ids": [1], "nextid": 2}