{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.677441, -0.000179, 0.000157, -1.838875, 3.185025, 0.0, 0.000269, 0.000155, 5.943451]]}, "__ase_objtype__": "cell"}, "ctime": 24.89136391039272, "dipole": {"__ndarray__": [[3], "float64", [-1.2887917890501298e-05, -2.376984781972001e-06, 2.584327192297757e-06]]}, "energy": -20.29412465738116, "forces": {"__ndarray__": [[3, 3], "float64", [-0.001344730346443839, -0.001959188103945868, -0.2085774615020201, 0.0013508516756565432, 0.00196044381218012, 0.2085639724010434, -6.582803613698496e-06, -1.339368873218354e-06, 1.3440359886882899e-05]]}, "mtime": 24.89136391039272, "numbers": {"__ndarray__": [[3], "int64", [16, 16, 40]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[3, 3], "float64", [0.00016000008125732952, 2.1234399999488884, 1.463939999850263, 1.8386700000251341, 1.0615599999584058, 4.479669999882876, 0.0, 0.0, 0.0]]}, "stress": {"__ndarray__": [[6], "float64", [0.0027374219914290507, 0.0028075965373231867, 0.0006034885847379497, 8.908617363835827e-05, 5.670862370266448e-05, -6.555624905309001e-05]]}, "unique_id": "9de0eec5f4a95ea2fd45314b448550d7", "user": "cmr"}, "ids": [1], "nextid": 2}