{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.1, 0.0, 0.0, 0.0, 4.1, 0.0, 0.0, 0.0, 45.1]]}, "__ase_objtype__": "cell"}, "ctime": 24.89129472681713, "dipole": {"__ndarray__": [[3], "float64", [-38.43753398, -39.79495231, -39.1826658]]}, "energy": -423.988977, "initial_charges": {"__ndarray__": [[55], "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, 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, 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": 24.89129472681713, "numbers": {"__ndarray__": [[55], "int64", [56, 50, 8, 8, 8, 56, 50, 8, 8, 8, 56, 50, 8, 8, 8, 56, 50, 8, 8, 8, 56, 50, 8, 8, 8, 56, 50, 8, 8, 8, 56, 73, 7, 8, 8, 56, 73, 7, 8, 8, 56, 73, 7, 8, 8, 56, 73, 7, 8, 8, 56, 73, 7, 8, 8]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[55, 3], "float64", [0.0, 0.0, 0.0, 2.05, 2.05, 2.05, 2.05, 0.0, 2.05, 2.05, 2.05, 0.0, 0.0, 2.05, 2.05, 0.0, 0.0, 4.1, 2.05, 2.05, 6.15, 2.05, 0.0, 6.15, 2.05, 2.05, 4.1, 0.0, 2.05, 6.15, 0.0, 0.0, 8.2, 2.05, 2.05, 10.25, 2.05, 0.0, 10.25, 2.05, 2.05, 8.2, 0.0, 2.05, 10.25, 0.0, 0.0, 12.3, 2.05, 2.05, 14.35, 2.05, 0.0, 14.35, 2.05, 2.05, 12.3, 0.0, 2.05, 14.35, 0.0, 0.0, 16.4, 2.05, 2.05, 18.45, 2.05, 0.0, 18.45, 2.05, 2.05, 16.4, 0.0, 2.05, 18.45, 0.0, 0.0, 20.5, 2.05, 2.05, 22.55, 2.05, 0.0, 22.55, 2.05, 2.05, 20.5, 0.0, 2.05, 22.55, 0.0, 0.0, 24.6, 2.05, 2.05, 26.65, 2.05, 0.0, 26.65, 2.05, 2.05, 24.6, 0.0, 2.05, 26.65, 0.0, 0.0, 28.7, 2.05, 2.05, 30.75, 2.05, 0.0, 30.75, 2.05, 2.05, 28.7, 0.0, 2.05, 30.75, 0.0, 0.0, 32.8, 2.05, 2.05, 34.85, 2.05, 0.0, 34.85, 2.05, 2.05, 32.8, 0.0, 2.05, 34.85, 0.0, 0.0, 36.9, 2.05, 2.05, 38.95, 2.05, 0.0, 38.95, 2.05, 2.05, 36.9, 0.0, 2.05, 38.95, 0.0, 0.0, 41.0, 2.05, 2.05, 43.05, 2.05, 0.0, 43.05, 2.05, 2.05, 41.0, 0.0, 2.05, 43.05]]}, "unique_id": "d969fcc8a19e40a1b2b782fbcd852d0d", "user": "cmr"}, "ids": [1], "nextid": 2}