{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.50774, 0.0, 0.0, 0.0, 5.50774, 0.0, 0.0, 0.0, 5.50774]]}, "__ase_objtype__": "cell"}, "ctime": 24.378642440666606, "dipole": {"__ndarray__": [[3], "float64", [-7.09150947, -7.09150947, -7.09150947]]}, "energy": -18.487176, "initial_charges": {"__ndarray__": [[5], "float64", [0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.378642440666606, "numbers": {"__ndarray__": [[5], "int64", [50, 17, 17, 17, 55]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[5, 3], "float64", [0.0, 0.0, 0.0, 2.7611, 0.0, 0.0, 0.0, 2.7611, 0.0, 0.0, 0.0, 2.7611, 2.7611, 2.7611, 2.7611]]}, "unique_id": "50e043a5bee66bb9ad9016819cfd73e4", "user": "cmr"}, "ids": [1], "nextid": 2}