{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [-6.187628258076322, -3.571639255124379, 0.0, -0.0004956075605567377, 7.144137865233506, 0.0, 3.1870073687106743e-16, 3.8899241266487614e-20, 30.21473369428158]]}, "__ase_objtype__": "cell"}, "ctime": 24.895839472712606, "dipole": {"__ndarray__": [[3], "float64", [4.817634266617724, -2.682965799403997, 2.294698026671678e-05]]}, "energy": -90.01429100349966, "forces": {"__ndarray__": [[25, 3], "float64", [-0.00158174, -0.00222194, -0.00607995, 0.00021276, -0.00410631, 0.00431925, 0.00090099, 0.00206498, 0.00353506, -0.00092611, 0.00465415, -0.00329543, -0.00063497, 0.00305234, -0.00226186, 0.00166043, 0.00267638, 0.00428912, -0.00179186, -0.00264557, -0.00062021, -0.00232062, -0.00633604, -7.717e-05, -0.00015953, -0.00250934, 0.00363982, 0.00079964, -0.00164201, -0.00270121, 0.00022728, 0.00224951, 0.00080447, 0.00132637, 0.0033594, 0.00017674, -9.162e-05, 0.00270561, -0.00536134, 0.0006262, 0.0018394, 0.00492842, -0.00030653, -0.00270103, 0.00184321, 0.00205887, -0.00508447, -0.00268862, -0.00072065, -0.00395153, 0.00260824, -0.00165088, -0.00596107, -0.00302892, 0.0008541, 0.003366, 0.00125179, 0.00178522, 0.00420736, -0.00036072, 0.00023421, 0.00408116, -0.00490937, 0.00197708, 0.00543731, 0.00506163, -0.00082301, -0.00218874, -0.0006935, 0.00117525, -0.0020627, 0.00062491, -0.00283855, 0.00172153, -0.00099083]]}, "free_energy": -90.0340162888813, "initial_magmoms": {"__ndarray__": [[25], "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, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[25], "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, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.895839472712606, "numbers": {"__ndarray__": [[25], "int64", [49, 49, 34, 34, 49, 49, 34, 34, 49, 49, 34, 34, 49, 49, 34, 34, 49, 49, 34, 34, 49, 49, 34, 34, 49]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[25, 3], "float64", [-2.06545659, 1.19275038, 8.49858074, -2.06681641, 1.192801, 11.31347636, -4.13963535, 2.38971824, 7.31212535, -4.08787176, 2.35903116, 12.67985526, -2.06490953, 1.19209738, 21.71305506, -2.06873691, 1.19437475, 18.89719552, -4.13907263, -0.00598043, 22.89678627, -4.08955799, 0.0266125, 17.53287696, -4.12694066, -2.38112391, 8.57466162, -4.12807095, -2.38256469, 11.42557295, 0.0106312, 2.39000204, 7.3168473, -0.04162299, 2.35937569, 12.6735663, -4.12484895, -2.37994044, 21.63550256, -4.12747226, -2.37735921, 18.7842569, 0.01157174, -0.00660458, 22.89215344, -0.04347836, 0.02556123, 17.53887567, -0.00077669, 4.76576292, 8.57537606, -0.00076818, 4.76623002, 11.42627021, -2.06435995, -1.20439725, 7.31615823, -2.06559739, -1.14557212, 12.67422724, -0.00166361, 4.7610179, 21.63521525, -0.00529905, 4.76178287, 18.78397132, -2.06415298, 3.5880303, 22.89719433, -2.06766264, 3.52946894, 17.53219012, -2.0550774, 1.18600235, 15.10615803]]}, "stress": {"__ndarray__": [[6], "float64", [2.467231347064595e-05, 6.038744429894711e-05, 5.500510803763533e-05, -1.566119063185047e-05, 7.711262352579107e-06, -1.3035177399385752e-05]]}, "tags": {"__ndarray__": [[25], "int32", [0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 1, 1, 1, 1, 2]]}, "unique_id": "eb42d163cf4320f79d76f4a1f7dd2be3", "user": "cmr"}, "ids": [1], "nextid": 2}