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_FoilesHoyt_2006_Ni__MO_776437554506_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 15:22:29 -17.795817 0.161893 BFGS: 1 15:22:29 -17.796863 0.139920 BFGS: 2 15:22:29 -17.799999 0.002816 BFGS: 3 15:22:29 -17.800000 0.000051 BFGS: 4 15:22:29 -17.800000 0.000000 BFGS: 5 15:22:29 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1348713536946778e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.83148653e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 8.54904967e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.54904967e-37]] cellpar = Cell([[3.520000064527678, 7.150848296239532e-38, 1.9709095772757084e-32], [7.003453006289441e-33, 3.520000064527678, 4.2268397405088923e-20], [1.1060742992489059e-32, 4.226839740509708e-20, 3.520000064527678]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.13487135e-14 -1.13487135e-14 -1.13487135e-14 2.44047996e-30 2.59062106e-36 -3.30631263e-52] energy per atom = -4.450000005266396 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0