{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [-5.149650111591323, -2.9747518768355254, 0.0, 0.0014826448673976834, 5.946937349015233, 0.0, 4.24563405740624e-16, 5.2636565730707605e-20, 23.948647243614985]]}, "__ase_objtype__": "cell"}, "ctime": 24.842091338655788, "dipole": {"__ndarray__": [[3], "float64", [-0.27875792998609045, 0.2725224149429352, 0.04292474784611486]]}, "energy": -142.06921447696143, "forces": {"__ndarray__": [[19, 3], "float64", [-0.00069962, 0.0001357, -0.00709867, -0.00498628, 0.00340192, 0.00011072, -0.00248953, -0.00027205, 0.0082512, -0.00057017, 0.00222401, -0.00471934, -0.00196718, 0.00448894, 0.00409224, 0.00361902, -4.423e-05, 0.00027119, -0.00391692, -0.00414979, -0.00543996, 0.00138869, -0.00219588, 0.00274097, -0.00044951, -0.00271527, -0.00373302, -0.00297462, -0.00015374, -0.00382663, -0.00337105, 0.0018089, 0.00729066, 0.00235371, 0.00160729, 0.00241256, 0.00589944, 0.00046773, -0.00515318, 0.00482745, 0.00048612, 0.00125022, 0.00244687, -0.00215302, 0.00214073, 0.00069482, 0.00022033, -0.00867664, -0.00149558, 0.00256495, 0.00404915, -0.00147185, -0.00211596, 0.00371346, 0.00317365, -0.00361204, 0.00227786]]}, "free_energy": -142.08959934891286, "initial_magmoms": {"__ndarray__": [[19], "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]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[19], "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]]}, "mtime": 24.842091338655788, "numbers": {"__ndarray__": [[19], "int64", [41, 16, 16, 41, 16, 16, 41, 16, 16, 41, 16, 16, 41, 16, 16, 41, 16, 16, 41]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[19, 3], "float64", [-3.29578733, 0.18327873, 9.03922692, -1.75099194, 1.01236911, 10.70682699, -3.52001038, 2.03362252, 7.49271903, -1.76529179, 1.01622985, 14.87760654, -3.39552553, -0.02668462, 16.45474162, -3.30133511, 1.9031543, 13.35165389, -0.1810546, 0.11041194, 9.04407825, -3.46424239, -1.98066779, 10.56011625, 0.00345388, 2.05181123, 7.57557045, -3.32098039, -1.97122651, 14.88015116, 0.03206453, -0.02046966, 16.27734581, 0.04134507, 2.07130867, 13.36981524, -1.80840234, 2.76502014, 9.03935883, -0.01604516, 3.99330237, 10.55791865, -1.7710033, -1.02482175, 7.57610986, 0.04403957, 3.85879892, 14.88166341, -1.67772826, 2.94949132, 16.45478683, -1.77426352, -1.07471974, 13.36862258, 0.02949722, -0.01823259, 12.2538252]]}, "stress": {"__ndarray__": [[6], "float64", [3.135983819129674e-06, -3.333259128646825e-07, 5.3244626211101765e-05, -0.00010283134715416774, 4.7736641587745596e-05, -5.014545260138381e-06]]}, "tags": {"__ndarray__": [[19], "int32", [0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 2]]}, "unique_id": "ba82b7d271b36d218d0df809d03efed6", "user": "cmr"}, "ids": [1], "nextid": 2}