element(s): ['Co'] 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: ['3.5722'] model name: EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]] ========================================= Step Time Energy fmax BFGS: 0 16:50:03 -17.530786 0.0923 BFGS: 1 16:50:03 -17.531124 0.0786 BFGS: 2 16:50:03 -17.532009 0.0004 BFGS: 3 16:50:03 -17.532009 0.0000 BFGS: 4 16:50:03 -17.532009 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.717768925530444e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5643275717978864, 1.1529960778310493e-33, -4.3472781235068865e-37], [-1.1529940281227873e-33, 3.5643275717978864, 2.7830368730043544e-26], [-4.576176881562344e-33, 2.783037334062559e-26, 3.5643275717978864]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.71776893e-12 2.71776893e-12 2.71776893e-12 -6.03465844e-28 1.79868991e-60 1.77021657e-61] energy per atom = -4.3658661224203765 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0