{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [20.04785137604249, -2.3386781672174173e-20, -1.926027013182826e-42, -3.0810504222328855e-20, 20.39858147638797, -1.1246759667325125e-22, -3.716855951470832e-18, 7.341261687089622e-21, 6.357178350356777]]}, "__ase_objtype__": "cell"}, "ctime": 24.891171963652734, "dipole": {"__ndarray__": [[3], "float64", [0.010993112350938862, -0.09024238320490137, 4.82153146632362]]}, "energy": -832.4391533309888, "forces": {"__ndarray__": [[9, 3], "float64", [-0.005089389451798474, -0.0028517674702954496, -0.005912210677466946, -0.0008752524917257701, -0.0018322800256965102, 0.006429554801198731, 0.002458728427281349, 0.0010100289024594369, -0.002643941324626093, -0.00042698978078121026, -0.004777651502616473, 0.001336379183348909, 0.00187707328820922, 0.00666162807029468, 0.0006169310285789723, -0.000728375985359789, 0.002889184888902353, 8.960944022593007e-05, 0.0048078432577640315, 0.003996793575869865, -0.0004656961437504534, -0.0026266409674126265, -0.0008368427213924354, 0.003062205255219931, 0.0006092970272271502, -0.0038117571883275873, -0.0025013335759302992]]}, "free_energy": -832.4456761174081, "initial_magmoms": {"__ndarray__": [[9], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[9], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.891171963652734, "numbers": {"__ndarray__": [[9], "int64", [40, 40, 35, 35, 35, 35, 35, 35, 1]]}, "pbc": {"__ndarray__": [[3], "bool", [false, false, true]]}, "positions": {"__ndarray__": [[9, 3], "float64", [10.078203619268669, 9.944422413030908, 1.6628461941855117, 10.07762342996163, 9.94419817804781, 4.625638564535616, 9.880285779718944, 12.235133031066303, 3.1449606579467555, 12.428174757220555, 9.822865718854795, 3.1434833805723406, 11.761563200209613, 11.267560953209443, -0.03477630923199018, 7.782202784396892, 9.422010998185417, 3.1435409982866296, 10.248553540238424, 7.796545604342351, -0.03398093147803073, 8.199851711150185, 10.975625161289683, -0.03506323439136752, 10.188442984408871, 8.655955116278156, 3.144663436976221]]}, "stress": {"__ndarray__": [[6], "float64", [0.0004833560956765061, 0.0006625277034187956, 3.7960128458586183e-06, -7.294106361650465e-07, 6.239143088714155e-07, -1.4059476291403292e-05]]}, "unique_id": "cace1e05c66a14157edf896af47afaa8", "user": "cmr"}, "ids": [1], "nextid": 2}