{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.56922057, 0.0, 0.0, 0.0, 7.7853205800000005, 0.0, 0.0, 0.0, 20.5728187]]}, "__ase_objtype__": "cell"}, "ctime": 24.797888309509705, "dipole": {"__ndarray__": [[3], "float64", [-3.7282727283243674e-08, -26.78372098812706, 5.473519114175498e-08]]}, "energy": -65.03973755245073, "forces": {"__ndarray__": [[12, 3], "float64", [-5.884e-05, -0.00150868, 0.00292239, -1.785e-05, 0.00150888, -0.00292207, 1.785e-05, 0.00150888, -0.00292207, 5.884e-05, -0.00150868, 0.00292239, 7.638e-05, -5.862e-05, 0.0028515, 1.37e-06, 4.692e-05, -0.00285193, -1.37e-06, 4.692e-05, -0.00285193, -7.638e-05, -5.862e-05, 0.0028515, 2.084e-05, 2.205e-05, -1.75e-05, -2.084e-05, 2.205e-05, -1.75e-05, -2.091e-05, -3.54e-05, 1.646e-05, 2.091e-05, -3.54e-05, 1.646e-05]]}, "free_energy": -65.03973755522452, "initial_magmoms": {"__ndarray__": [[12], "float64", [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0]]}, "magmom": 19.999999994687236, "magmoms": {"__ndarray__": [[12], "float64", [4.4476514, 4.44765139, 4.44765139, 4.4476514, 0.05629753, 0.05629754, 0.05629754, 0.05629753, 0.06268123, 0.06268123, 0.06268087, 0.06268087]]}, "mtime": 24.797888309509705, "numbers": {"__ndarray__": [[12], "int64", [25, 25, 25, 25, 17, 17, 17, 17, 17, 17, 17, 17]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [5.67692549, 0.12387216, 11.70848508, 1.89230514, 4.00751043, 8.86433362, 1.89230514, 0.11485014, 8.86433362, 5.67690536, 4.01653245, 11.70848508, 5.6767318, 2.06980673, 13.07281866, 1.89230514, 2.06157593, 7.50000004, 1.89230514, 5.95423622, 7.50000004, 5.67709906, 5.96246702, 13.07281866, 0.0, 0.11936119, 10.28640935, 3.78461028, 4.01202148, 10.28640935, 0.0, 4.01202148, 10.28640935, 3.78461028, 0.11936119, 10.28640935]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00037765032179934145, -0.0003408842251657269, -4.298647377429972e-06, 7.5827527097620196e-06, 0.0, 0.0]]}, "unique_id": "8b8bb9d000ba8f57ef12cf1b43db6c26", "user": "cmr"}, "ids": [1], "nextid": 2}