{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [-4.94769674886475, -2.8566090711812513, 0.0, 0.0001523492412973351, 5.712954317123768, 0.0, 2.87719541556099e-16, -3.2448248846032843e-21, 27.245434326578152]]}, "__ase_objtype__": "cell"}, "ctime": 24.92639141715637, "dipole": {"__ndarray__": [[3], "float64", [0.00920744001964638, 0.03881168337058945, 8.604381417631219e-07]]}, "energy": -165.54830386719547, "forces": {"__ndarray__": [[21, 3], "float64", [-0.00051774, -0.00027482, -0.00465537, 0.00387097, 0.00170209, 0.00215876, -0.00349097, 0.00229867, 0.00239469, -0.00053833, -0.00284052, 0.00785354, -0.00309555, -0.00101405, -0.00151859, 0.00202463, -0.00098004, -0.00638974, -0.00190207, -0.00101864, -0.00699364, 0.00336373, -0.00213974, 0.00258383, -0.00296766, -0.00058196, 0.00316758, -0.00126316, 0.00192291, 0.00587374, -0.00066215, 0.00071986, -0.00394984, -0.00348691, 0.00183267, 0.00235062, 0.00103417, 0.00202406, -0.00613793, 0.0032749, 0.00130824, 0.00508736, 0.00084214, -0.0024556, 0.000494, 0.00114856, 0.00013921, 0.00434984, -0.00402854, -0.00092249, -0.00475456, 0.00570999, 0.00058241, -0.00146058, 0.00027468, -0.00276826, 0.00034383, -0.00094802, 0.00152552, 0.00072528, 0.00135742, 0.00094049, -0.00158744]]}, "free_energy": -165.57818892840584, "initial_magmoms": {"__ndarray__": [[21], "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]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[21], "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]]}, "mtime": 24.92639141715637, "numbers": {"__ndarray__": [[21], "int64", [41, 16, 16, 41, 16, 16, 41, 16, 16, 41, 16, 16, 41, 16, 16, 41, 16, 16, 41, 41, 41]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[21, 3], "float64", [-3.29839673, -0.00022733, 10.30994524, -1.64972807, 0.95171296, 11.94835411, -1.64861273, 0.95165038, 8.7297946, -3.2985148, 8.807e-05, 16.93532909, -3.29808367, 1.90433065, 15.29753457, -3.29872965, 1.9040422, 18.51652059, 0.00018671, -6.197e-05, 10.31037786, -3.29883309, -1.90429104, 11.94815247, -3.29807673, -1.90460412, 8.72970923, 3.91e-06, -0.00046522, 16.93573495, -9.24e-05, 1.9039868, 15.29780255, 0.00037582, 1.90394926, 18.51549469, -1.64929509, 2.85601173, 10.31023556, -0.00028209, 3.80825904, 11.94784813, -2.449e-05, 3.80876047, 8.73004264, -1.64938832, 2.85622468, 16.93590147, -1.64894493, -0.95231829, 15.2979154, -1.65010655, -0.9523316, 18.51592895, -1.64922738, 2.85670111, 13.62285793, 2.577e-05, -0.00046018, 13.62281769, -3.29883383, -0.0003714, 13.6231579]]}, "stress": {"__ndarray__": [[6], "float64", [4.2622081604861245e-06, 8.820954817327326e-08, 7.5663737651971e-05, -2.733017878850069e-06, -2.6046988674090555e-05, 4.214660795409838e-06]]}, "tags": {"__ndarray__": [[21], "int32", [0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 2, 2, 2]]}, "unique_id": "bca4a6692cdcef7057596d3127f7fc81", "user": "cmr"}, "ids": [1], "nextid": 2}