{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.734309, 0.0, 0.0, 0.0, 6.692166, -0.0, 0.0, -0.0, 6.360933]]}, "__ase_objtype__": "cell"}, "ctime": 24.372880925991602, "dipole": {"__ndarray__": [[3], "float64", [-7.25838564, -1.43826395, 9.57805451]]}, "energy": -587.906993, "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": 24.372880925991602, "numbers": {"__ndarray__": [[16], "int64", [13, 13, 13, 13, 31, 31, 31, 31, 15, 15, 15, 15, 15, 15, 15, 15]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[16, 3], "float64", [0.0, -0.001, 0.0008, 3.8672, -0.001, 0.0008, 0.0, 2.2317, 3.1813, 3.8672, 2.2317, 3.1813, 1.9336, 3.3468, 0.0039, 5.8007, 5.5761, 3.1844, 5.8007, 3.3468, 0.0039, 1.9336, 5.5761, 3.1844, 0.0, 0.0091, 2.3749, 1.9336, 3.3362, 2.3912, 3.8672, 0.0091, 2.3749, 5.8007, 3.3362, 2.3912, 0.0, 2.2216, 5.5554, 3.8672, 2.2216, 5.5554, 1.9336, 5.5867, 5.5717, 5.8007, 5.5867, 5.5717]]}, "unique_id": "5f16edde6588e225b826b93827eac2c3", "user": "cmr"}, "ids": [1], "nextid": 2}