{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.8951314093202756, 1.2588104409279539e-16, 0.0, 1.0486081903089668e-16, 3.8974623778984787, 0.0, 1.14231316179029e-16, 0.0, 17.827337479999997]]}, "__ase_objtype__": "cell"}, "ctime": 24.79784272444698, "dipole": {"__ndarray__": [[3], "float64", [4.555326360635991e-08, -0.004038543250425681, 2.3204372022583344e-06]]}, "energy": -29.457831822471846, "free_energy": -29.468691471520412, "initial_magmoms": {"__ndarray__": [[4], "float64", [0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.79784272444698, "numbers": {"__ndarray__": [[4], "int64", [41, 34, 41, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[4, 3], "float64", [0.0, 0.0001376, 8.91361692, -0.0, 1.9510282, 10.76814338, 1.94756571, 1.94817122, 8.91377214, -0.0, 1.94602017, 7.05918998]]}, "unique_id": "85cae8a17977bd8f13fbab5b1f19e5fb", "user": "cmr"}, "ids": [1], "nextid": 2}