element(s): ['Ni'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.7844'] model name: EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 16:18:39 -8.675972 0.019442 BFGS: 1 16:18:39 -8.675987 0.015505 BFGS: 2 16:18:39 -8.676012 0.000022 BFGS: 3 16:18:39 -8.676012 0.000000 BFGS: 4 16:18:39 -8.676012 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.82825539519882e-17 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7863120158469274, 7.18869184029992e-33, 2.502842936666156e-33], [4.400187938474487e-33, 2.7863120158469274, 4.82593308553635e-22], [-1.3543852827788393e-35, 4.825933085557747e-22, 2.7863120158469274]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-7.82825540e-17 -7.82825540e-17 -7.82825540e-17 -8.92275953e-33 8.26912839e-36 9.45680990e-53] energy per atom = -4.338006188846226 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0