element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] model name: EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 17:09:16 -17.795803 0.1625 BFGS: 1 17:09:16 -17.796857 0.1403 BFGS: 2 17:09:16 -17.799998 0.0030 BFGS: 3 17:09:16 -17.800000 0.0001 BFGS: 4 17:09:16 -17.800000 0.0000 BFGS: 5 17:09:16 -17.800000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.8558984715117975e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.42978610e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 3.41961993e-36]] cellpar = Cell([[3.519999999145683, -2.1118598654459115e-33, 1.62344747628965e-33], [-1.1677009083902837e-33, 3.519999999145683, -6.531097499471282e-20], [-1.8042388504184964e-33, -6.531097499471076e-20, 3.519999999145683]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.85589847e-14 -3.85589847e-14 -3.85589847e-14 1.82303014e-31 -5.18124232e-36 9.39731654e-54] energy per atom = -4.422768669340029 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0