{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.577589, 0.0, 0.0, 0.0, 6.637441, 0.0, 0.0, 0.0, 6.291842]]}, "__ase_objtype__": "cell"}, "ctime": 24.372923897952685, "dipole": {"__ndarray__": [[3], "float64", [-6.82389281, -0.06668889, 8.74221472]]}, "energy": -760.828063, "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": 24.372923897952685, "numbers": {"__ndarray__": [[16], "int64", [30, 30, 30, 30, 32, 32, 32, 32, 15, 15, 15, 15, 15, 15, 15, 15]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[16, 3], "float64", [0.0, -0.0351, 0.0142, 3.7888, -0.0351, 0.0142, 0.0, 2.2476, 3.1601, 3.7888, 2.2476, 3.1601, 1.8944, 3.3662, -0.0027, 5.6832, 5.4837, 3.1432, 5.6832, 3.3662, -0.0027, 1.8944, 5.4837, 3.1432, 0.0, 0.0215, 2.3658, 1.8944, 3.3084, 2.3416, 3.7888, 0.0215, 2.3658, 5.6832, 3.3084, 2.3416, 0.0, 2.191, 5.5117, 3.7888, 2.191, 5.5117, 1.8944, 5.5415, 5.4876, 5.6832, 5.5415, 5.4876]]}, "unique_id": "f22bfc42187a06c12926777c51ee04f2", "user": "cmr"}, "ids": [1], "nextid": 2}