{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.8558560226073775, -6.309169657382012e-20, 0.0, -1.9279280113036887, 3.3392692689132133, 0.0, -1.2450631859680046e-18, 0.0, 18.549703718471115]]}, "__ase_objtype__": "cell"}, "ctime": 24.89145380143008, "dipole": {"__ndarray__": [[3], "float64", [5.146073409508535, -2.9710868682493317, -4.127536048477043e-08]]}, "energy": -6.350732598565608, "free_energy": -6.3718168248301055, "initial_magmoms": {"__ndarray__": [[3], "float64", [1.0, 1.0, 1.0]]}, "magmom": -0.5604659299516523, "magmoms": {"__ndarray__": [[3], "float64", [-0.17531573, -0.11404465, -0.1140446]]}, "mtime": 24.89145380143008, "numbers": {"__ndarray__": [[3], "int64", [29, 53, 53]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[3, 3], "float64", [-0.0, -0.0, 9.27485175, 1.92792801, 1.11308976, 11.05178066, 1.92792801, 1.11308976, 7.49792332]]}, "unique_id": "726fab609f8632566c7cd8e957559fac", "user": "cmr"}, "ids": [1], "nextid": 2}