{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.7632, 0.0, 0.0, 0.0, 5.7632, 0.0, 0.0, 0.0, 5.7632]]}, "__ase_objtype__": "cell"}, "ctime": 24.378514153372517, "dipole": {"__ndarray__": [[3], "float64", [-5.78690321, -5.78690321, -5.78690321]]}, "energy": -16.878337, "initial_charges": {"__ndarray__": [[5], "float64", [0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.378514153372517, "numbers": {"__ndarray__": [[5], "int64", [50, 35, 35, 35, 55]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[5, 3], "float64", [0.0017, 0.0017, 0.0017, 2.8874, 5.763, 5.763, 5.763, 2.8874, 5.763, 5.763, 5.763, 2.8874, 2.8885, 2.8885, 2.8885]]}, "unique_id": "dfef1f9bc38fb8d1151496c846eb181c", "user": "cmr"}, "ids": [1], "nextid": 2}