{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [11.3337, 0.0, 0.0, 0.0, 3.4508, 0.0, 0.0, 0.0, 10.8037]]}, "__ase_objtype__": "cell"}, "ctime": 24.9752534064871, "dipole": {"__ndarray__": [[3], "float64", [-8.64311776, 4.71648186, -1.52314148]]}, "energy": -1946.11956595, "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": 24.9752534064871, "numbers": {"__ndarray__": [[20], "int64", [47, 47, 47, 47, 73, 73, 73, 73, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[20, 3], "float64", [9.6836, 0.8627, 5.1941, 4.0168, 0.8627, 0.2078, 1.6501, 2.5881, 5.6096, 7.3169, 2.5881, 10.5959, 5.1965, 0.8627, 7.065, 10.8634, 0.8627, 9.1406, 6.1372, 2.5881, 3.7387, 0.4703, 2.5881, 1.6631, 0.0589, 0.8627, 6.9373, 5.7258, 0.8627, 9.2683, 11.2748, 2.5881, 3.8664, 5.6079, 2.5881, 1.5354, 10.2123, 0.8627, 0.9364, 4.5455, 0.8627, 4.4655, 1.1214, 2.5881, 9.8673, 6.7882, 2.5881, 6.3382, 7.8456, 0.8627, 3.663, 2.1788, 0.8627, 1.7389, 3.4881, 2.5881, 7.1407, 9.1549, 2.5881, 9.0648]]}, "unique_id": "9d98760f9ab65a635fb6686cc9d58757", "user": "cmr"}, "ids": [1], "nextid": 2}