{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.284344, -1e-06, 1e-06, -1e-06, 8.433465, 0.0, 2e-06, 0.0, 7.460852]]}, "__ase_objtype__": "cell"}, "ctime": 24.379177720225037, "dipole": {"__ndarray__": [[3], "float64", [-4.97817206, -4.31392806, -5.00689]]}, "energy": -2189.63143236, "initial_charges": {"__ndarray__": [[20], "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, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.379177720225037, "numbers": {"__ndarray__": [[20], "int64", [47, 47, 47, 47, 83, 83, 83, 83, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[20, 3], "float64", [3.9597, 2.1084, -0.354, 0.3175, 2.1084, 4.0845, 3.3247, 6.3251, 7.8149, 6.9668, 6.3251, 3.3764, 3.6422, -0.0, 3.7304, -0.0, 4.2167, 0.0, 3.6422, 4.2167, 3.7304, 0.0, 0.0, 0.0, 5.9684, 3.1831, 2.3974, 2.3262, 1.0336, 1.333, 1.316, 7.3999, 5.0635, 4.9582, 5.2503, 6.1278, 1.316, 5.2503, 5.0635, 4.9582, 7.3999, 6.1278, 5.9684, 1.0336, 2.3974, 2.3262, 3.1831, 1.333, 6.1386, 2.1084, 6.153, 2.4964, 2.1084, 5.0383, 1.1457, 6.3251, 1.3079, 4.7879, 6.3251, 2.4226]]}, "unique_id": "67e2b94ae6d0ce0072032d21cb42a396", "user": "cmr"}, "ids": [1], "nextid": 2}