{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.885893, -0.0, -0.182442, 0.0, 11.198974, -0.0, -2.522664, 0.0, 5.738218]]}, "__ase_objtype__": "cell"}, "ctime": 24.37938625143547, "dipole": {"__ndarray__": [[3], "float64", [0.23620754, -16.5376636, -4.5020591]]}, "energy": -1943.46464054, "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": 24.37938625143547, "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", [0.0, 3.6602, -0.0, 0.0, 7.5387, -0.0, 3.4429, 9.2597, -0.0912, 3.4429, 1.9393, -0.0912, 4.4079, 0.0, 3.752, -0.0447, 0.0, 1.8038, 0.965, 5.5995, 3.8432, 3.3983, 5.5995, 1.7126, -0.0999, 0.0, 4.1493, 4.4631, 0.0, 1.4064, 3.3431, 5.5995, 4.0581, 1.0202, 5.5995, 1.4977, 3.1761, 1.8047, 4.2282, 3.1761, 9.3943, 4.2282, 1.1871, 9.3943, 1.3276, 1.1871, 1.8047, 1.3276, -0.2669, 7.4041, 4.3194, -0.2669, 3.7948, 4.3194, 4.6301, 3.7948, 1.2364, 4.6301, 7.4041, 1.2364]]}, "unique_id": "f3b695223c53fc1bdcd0c46c1837f4c3", "user": "cmr"}, "ids": [1], "nextid": 2}