element(s): ['Co'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5032', '1.5893656'] model name: EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.5032, 0, 0], [-1.2516, 2.1678347907532, 0], [0, 0, 3.9785]] ========================================= Step Time Energy fmax BFGS: 0 17:01:37 -8.761835 0.643847 BFGS: 1 17:01:37 -8.770082 0.455211 BFGS: 2 17:01:37 -8.777882 0.077414 BFGS: 3 17:01:37 -8.778012 0.043683 BFGS: 4 17:01:37 -8.778145 0.040866 BFGS: 5 17:01:37 -8.778265 0.026328 BFGS: 6 17:01:37 -8.778305 0.009137 BFGS: 7 17:01:37 -8.778310 0.002233 BFGS: 8 17:01:37 -8.778310 0.000140 BFGS: 9 17:01:37 -8.778310 0.000008 BFGS: 10 17:01:37 -8.778310 0.000000 BFGS: 11 17:01:37 -8.778310 0.000000 Minimization converged after 11 steps. Maximum force component: 1.3331003766086697e-31 eV/Angstrom Maximum stress component: 2.6468865936321607e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.518740852802116, 2.1904580955015486e-18, -1.0762894291024548e-36], [-1.259370426401058, 2.1812935640763143, -1.6636741469133607e-36], [-4.320456292396533e-36, 7.927543556504804e-36, 4.055773182173901]]) forces = [[ 1.42009961e-67 -2.60572049e-67 -1.33310038e-31] [-1.42009961e-67 2.60572049e-67 1.33310038e-31]] stress = [-8.96598777e-11 -8.96598777e-11 -2.64688659e-10 -6.96630824e-34 -2.75537675e-45 -4.74785432e-27] energy per atom = -4.3720187937899455 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0