element(s): ['Co', 'Fe'] AFLOW prototype label: A3B5_cI16_229_b_ac Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.8538'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Fe', 'Fe'] representative atom coordinates = [[0. 0.5 0.5 ] [0. 0. 0. ] [0.25 0.25 0.25]] spacegroup = 229 cell = [[5.8538, 0, 0], [0, 5.8538, 0], [0, 0, 5.8538]] ========================================= Step Time Energy fmax BFGS: 0 10:09:23 -68.396874 0.811323 BFGS: 1 10:09:26 -68.424614 0.784277 BFGS: 2 10:09:26 -68.533585 0.669048 BFGS: 3 10:09:26 -68.625414 0.555585 BFGS: 4 10:09:26 -68.700316 0.443271 BFGS: 5 10:09:26 -68.758438 0.331798 BFGS: 6 10:09:26 -68.799869 0.220632 BFGS: 7 10:09:26 -68.824590 0.108105 BFGS: 8 10:09:26 -68.831827 0.009294 BFGS: 9 10:09:26 -68.831878 0.000316 BFGS: 10 10:09:26 -68.831878 0.000001 BFGS: 11 10:09:26 -68.831878 0.000000 Minimization converged after 11 steps. Maximum force component: 1.4580017203687067e-30 eV/Angstrom Maximum stress component: 4.0728700770090014e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe'] basis = [[0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.51726813e-16 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.51726813e-16] [5.00000000e-01 7.58634067e-17 7.58634067e-17] [0.00000000e+00 5.00000000e-01 7.58634067e-17] [1.74662400e-50 7.58634067e-17 5.00000000e-01] [0.00000000e+00 7.58634067e-17 7.58634067e-17] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01]] cellpar = Cell([[5.723571889421983, 1.4361024575192368e-32, -2.707029159339897e-32], [2.1230263780315935e-32, 5.723571889421983, -5.4488617305235174e-18], [1.892768458463368e-33, -5.4488617305232455e-18, 5.723571889421983]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-8.81855879e-32 1.29338862e-30 -7.05484703e-31] [ 6.81968547e-31 -9.18232434e-31 6.07010797e-31] [-1.19932400e-30 -1.41096941e-31 4.93839292e-31] [ 2.02826852e-31 -7.93670291e-31 4.70323136e-31] [-5.23234488e-31 1.45800172e-30 -4.70323136e-32] [-2.11645411e-31 -1.34629998e-30 9.64162428e-31] [ 9.61222908e-31 5.93782959e-31 -5.99661998e-31] [ 2.35161568e-31 5.17355449e-31 -1.41096941e-31]] stress = [-4.07287008e-12 -4.07287008e-12 -4.07287008e-12 -9.04752392e-29 -1.47307164e-60 1.07191599e-60] energy per atom = -4.301992402563996 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0