{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [7.210935958342857, 0.0001391820306204377, 0.0, 0.0002462629063761824, 12.872538754704864, 0.0, 6.76811298309649e-16, 4.6124576905792195e-20, 34.23026516910982]]}, "__ase_objtype__": "cell"}, "ctime": 24.845763397684568, "dipole": {"__ndarray__": [[3], "float64", [-2.0841444667013853, -7.817599121702598, -1.2168714989506917e-05]]}, "energy": -74.19407092793422, "forces": {"__ndarray__": [[20, 3], "float64", [-0.00386602, 0.0012527, 0.00086158, 0.00500212, 0.0001479, 0.0026804, -0.00618693, -0.00138515, 0.00161932, 0.00311403, -0.00040755, -0.00347307, -0.00395969, 0.00160513, -0.00288005, 0.00280213, 0.00046545, -0.00055353, 0.00806013, 0.00208764, -0.00030643, -0.00514576, 0.0015315, 0.00233844, 0.00301021, 0.0020171, -0.00068451, -0.00191029, 0.00273583, 0.00120837, -0.00436764, -0.00511022, 0.00212983, 0.00330211, -0.00382069, -0.00539204, 0.00116114, 0.0068684, -0.00467703, -0.00132205, 0.0056623, 0.00581729, -0.00234892, 0.00193707, 0.00515438, 0.00355077, 0.00349843, -0.00193773, 0.00244991, -0.00314123, -0.00112284, -0.00362657, -0.00231612, 0.00047987, -0.00296046, -0.00740932, 0.00462717, 0.00318359, -0.00620917, -0.00589014]]}, "free_energy": -74.19407135732878, "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": 24.845763397684568, "numbers": {"__ndarray__": [[20], "int64", [49, 49, 49, 49, 49, 49, 49, 49, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[20, 3], "float64", [-0.01985107, -0.00739202, 18.1323328, 1.19543379, 6.42895477, 16.0977357, 3.72481285, 2.02516652, 18.24606197, 4.66204226, 8.46137606, 15.98431797, 3.58516056, 10.83000252, 18.13463864, 4.80166027, 4.39380909, 16.09582154, 1.05701647, 2.36142164, 15.98156006, 0.11853602, 8.79772359, 18.24858437, 4.82754619, 12.797745, 19.42450732, 3.5592173, 6.36141001, 14.80573545, -0.18529261, 0.14795209, 15.58464824, 1.36098154, 6.58416523, 18.64579899, 3.65532707, 2.050226, 15.51802706, 4.73134319, 8.48658528, 18.71219757, 3.41933218, 10.67497325, 15.58665246, 4.96737287, 4.23863303, 18.64343917, 1.22108523, 10.89876775, 19.4257453, 7.16574405, 4.46256993, 14.80455334, 1.12683341, 2.33643442, 18.70958375, 0.04889373, 8.7726142, 15.52073464]]}, "stress": {"__ndarray__": [[6], "float64", [-4.8985117432704716e-08, -2.484197323322718e-07, 6.0105822580610934e-06, 7.84033607843864e-07, 2.90157077353895e-06, 5.999774126206986e-07]]}, "unique_id": "90e1619d1f48acb34cdd6dd3736064de", "user": "cmr"}, "ids": [1], "nextid": 2}