{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.745662, 0.0, 0.0, 0.0, 6.839421, -0.0, 0.0, -0.0, 6.460917]]}, "__ase_objtype__": "cell"}, "ctime": 24.381563956188216, "dipole": {"__ndarray__": [[3], "float64", [-7.15489629, 1.62248956, 11.53809534]]}, "energy": -959.938613, "initial_charges": {"__ndarray__": [[16], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.381563956188216, "numbers": {"__ndarray__": [[16], "int64", [30, 30, 30, 30, 14, 14, 14, 14, 33, 33, 33, 33, 33, 33, 33, 33]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[16, 3], "float64", [0.0, -0.0459, 0.0225, 3.8728, -0.0459, 0.0225, 0.0, 2.3257, 3.2529, 3.8728, 2.3257, 3.2529, 1.9364, 3.4846, -0.0083, 5.8092, 5.6346, 3.2221, 5.8092, 3.4846, -0.0083, 1.9364, 5.6346, 3.2221, 0.0, -0.001, 2.4622, 1.9364, 3.448, 2.3693, 3.8728, -0.001, 2.4622, 5.8092, 3.448, 2.3693, 0.0, 2.2808, 5.6926, 3.8728, 2.2808, 5.6926, 1.9364, 5.6712, 5.5998, 5.8092, 5.6712, 5.5998]]}, "unique_id": "e428311fdf327fc058042cf2991e0854", "user": "cmr"}, "ids": [1], "nextid": 2}