{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.7656901023044735, 0.1932852547843465, 3.2051720475760783e-16, -0.5217898581820222, 10.115950082436747, 5.551881026264569e-16, -1.498090410688883e-17, -3.2999710180790027e-19, 20.85719896676178]]}, "__ase_objtype__": "cell"}, "ctime": 24.842238848014137, "dipole": {"__ndarray__": [[3], "float64", [-1.5036342539314569, 0.2903460817210681, 0.02914664563536879]]}, "energy": -70.67813575999254, "forces": {"__ndarray__": [[12, 3], "float64", [0.00548488, -0.00235302, 0.00340848, -0.00328173, 0.00271475, -0.00255779, -0.00059328, -0.00057158, 0.00307285, -0.0024124, -0.00151088, 0.00203324, 0.00123347, -0.00342968, -0.00138867, 0.00162711, -0.00098136, -0.001947, -0.00375716, -0.00246275, -0.00284863, 0.00046173, 0.00095421, 0.00710537, -0.00065748, 0.00464309, -0.00282124, 0.00339548, 0.00208116, -0.00069179, 0.00417201, 0.00063714, 0.0018133, -0.00567299, 0.00027893, -0.00502006]]}, "free_energy": -70.69670870680704, "initial_magmoms": {"__ndarray__": [[12], "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]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[12], "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]]}, "mtime": 24.842238848014137, "numbers": {"__ndarray__": [[12], "int64", [40, 16, 40, 16, 35, 16, 40, 53, 40, 16, 35, 35]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [2.74834443, 1.42044906, 11.09794828, 0.61045528, 6.38071038, 9.31241756, 2.4929035, 6.47785982, 11.09367526, 2.36313551, 9.0100958, 11.28511377, 2.62024956, 3.94667854, 7.49894663, 2.62015967, 3.94615896, 11.28618607, 0.48135672, 8.90232604, 9.50480695, 0.60964671, 6.38124117, 13.35965877, 0.73713165, 3.85901837, 9.5051044, 0.86607805, 1.32252597, 9.315475, 0.86560737, 1.32252726, 13.1044157, 2.36420362, 9.01010498, 7.49919216]]}, "stress": {"__ndarray__": [[6], "float64", [-3.0155003758322645e-05, 3.5669318426731246e-06, -3.1930595198300254e-05, -2.8671660365786174e-06, -4.023418083517483e-05, -1.801119805626061e-05]]}, "unique_id": "edcbc33a00087f2d2b1c4311b9f5f3f2", "user": "cmr"}, "ids": [1], "nextid": 2}