{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [-5.7565100003697625, -3.322187418433813, 0.0, -0.0010184532216013316, 6.646140254685554, 0.0, -1.2353456616076672e-16, 1.5146286741607469e-21, 24.847592064283575]]}, "__ase_objtype__": "cell"}, "ctime": 24.988875840023965, "dipole": {"__ndarray__": [[3], "float64", [0.04647122865676921, 0.017488186897139005, 2.9917610299440596e-06]]}, "energy": -98.87955714188269, "forces": {"__ndarray__": [[19, 3], "float64", [0.00017629, 1.935e-05, -0.00638979, 0.00123341, -0.00086952, 0.00221488, -0.00133525, 0.00128503, -0.00138737, -0.00058261, 0.00054843, 0.00623545, 0.00132648, -0.00124424, 0.00129386, -0.00135687, 0.00093501, -0.00225125, -0.00088365, 0.00048975, 0.00982205, 0.00133948, 0.00017231, 0.00085656, -0.00051315, -0.00040773, -0.0011442, 0.00092639, -0.00052686, -0.00958063, -5.392e-05, -0.00116707, 0.00167855, -0.00049197, 0.00190373, -0.00094514, 0.00061737, -0.00057221, -0.00641723, 0.00037583, -0.00200064, 0.00097642, 0.00026014, 0.00128823, -0.0017072, -0.00021616, 4.849e-05, 0.00635169, 0.00067449, 0.00024678, 0.00115462, -0.00145229, -0.00020252, -0.00081772, -4.156e-05, 5.444e-05, -4.937e-05]]}, "free_energy": -98.93043660365456, "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": 24.988875840023965, "numbers": {"__ndarray__": [[19], "int64", [22, 52, 52, 22, 52, 52, 22, 52, 52, 22, 52, 52, 22, 52, 52, 22, 52, 52, 22]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[19, 3], "float64", [-3.83824431, 0.00041351, 9.11508975, -1.99280256, 1.15029611, 10.89110436, -3.87331969, 2.23579074, 7.49614765, -3.83799983, 0.00053769, 15.73270344, -1.88453636, 1.08802342, 17.35159906, -3.76502009, 2.1735079, 13.95664373, -0.0001035, -3.493e-05, 9.31652162, -3.76439302, -2.17244565, 10.89120839, -0.00066941, 2.17526199, 7.49618748, -0.00023812, -6.07e-05, 15.53112953, -3.87250234, -2.23484561, 17.35144602, -0.00043982, 2.30013004, 13.95663482, -1.91987885, 3.32328777, 9.11509775, -0.00087888, 4.34592867, 10.89108046, -1.88439998, -1.08750863, 7.49627653, -1.91960951, 3.32339381, 15.73266203, -0.00073296, 4.47081713, 17.35152856, -1.99244795, -1.14986836, 13.95652968, -0.00014877, -6.738e-05, 12.42389237]]}, "stress": {"__ndarray__": [[6], "float64", [6.522664338870378e-05, 6.968120591562817e-06, 0.00026041157614775564, 1.321295938398986e-05, -8.640212070971981e-06, -3.8524773985494e-05]]}, "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": "a26cd2161c009a67166aebb5e18aa2ff", "user": "cmr"}, "ids": [1], "nextid": 2}