{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.671071242943985, -3.2739173815494897, 0.0, 5.671034986267581, 3.2738545893807105, 0.0, 1.45947563909123e-16, -3.9343469729389313e-22, 24.63492884249745]]}, "__ase_objtype__": "cell"}, "ctime": 24.797838201576837, "dipole": {"__ndarray__": [[3], "float64", [-17.187652874184696, 0.0649835874831502, -0.050409767409798245]]}, "energy": -128.03238674325135, "forces": {"__ndarray__": [[20, 3], "float64", [-9.99e-06, -9.286e-05, -0.00818844, 0.00356067, -0.00260163, -0.00799108, -0.00459529, 0.002969, -0.00220193, 0.00287973, -0.00187101, 0.00570507, -0.00016306, 0.00040825, 0.00576569, -0.0056558, 0.00347793, 0.00407007, 9.598e-05, -0.00018891, 0.00134932, -0.0034247, -0.00262806, -0.00793257, -5.809e-05, -0.00485359, -0.0022165, -0.002853, -0.00180359, 0.0056841, -1.205e-05, 0.00027459, 0.00445346, -1.656e-05, -0.00674643, 0.00395172, 1.81e-05, -9.763e-05, -0.00818406, 7.948e-05, 0.00390944, -0.00774684, 0.00456325, 0.00302536, -0.00209437, -8.846e-05, 0.00349126, 0.00594253, -3e-05, 0.00039765, 0.00579943, 0.00568888, 0.00353543, 0.0039506, 0.00036968, -0.00022235, -0.00020716, -0.00034872, -0.00038281, -0.00020544]]}, "free_energy": -128.06558389015507, "initial_magmoms": {"__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]]}, "magmom": 0.0, "magmoms": {"__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": 24.797838201576837, "numbers": {"__ndarray__": [[20], "int64", [40, 34, 34, 40, 34, 34, 40, 34, 34, 40, 34, 34, 40, 34, 34, 40, 34, 34, 40, 40]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[20, 3], "float64", [-1.663e-05, -0.000203, 9.10079823, 1.94031655, 1.06223001, 10.78654935, 5.69091776, -1.1029953, 7.50143556, 1.87606867, 1.09940274, 15.51171795, 5.168e-05, -0.0002123, 17.09054998, 5.52657584, -1.00809352, 13.87896756, 3.7806478, -0.000222, 9.00126774, 5.62102842, 1.06220739, 10.78655356, 3.78065866, 2.20534594, 7.50142943, 5.68527168, 1.09924511, 15.51185867, 3.78067841, -0.00026354, 17.13006079, 3.7807145, 2.01551195, 13.87897529, 7.56137471, -0.00021511, 9.10079983, 3.78069639, -2.12507877, 10.78655267, 1.87042046, -1.1029856, 7.5013836, 3.78082139, -2.19936059, 15.51170654, 7.56145408, -0.00022772, 17.09053739, 2.03480523, -1.0081291, 13.87904144, -1.301e-05, -0.0002012, 12.49007288, 7.56141293, -0.00024586, 12.49006851]]}, "stress": {"__ndarray__": [[6], "float64", [1.7283547554193196e-05, -1.4353041958968819e-05, -0.00026332571147620734, -2.916424163682558e-06, 1.517163004384021e-06, -1.928774744095206e-06]]}, "tags": {"__ndarray__": [[20], "int32", [0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 2, 2]]}, "unique_id": "36deb249d60cf599dfe33db2e9b323c3", "user": "cmr"}, "ids": [1], "nextid": 2}