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 14:49:15 -8.761835 0.6438 BFGS: 1 14:49:15 -8.770082 0.4552 BFGS: 2 14:49:15 -8.777882 0.0774 BFGS: 3 14:49:15 -8.778012 0.0437 BFGS: 4 14:49:15 -8.778145 0.0409 BFGS: 5 14:49:15 -8.778265 0.0263 BFGS: 6 14:49:15 -8.778305 0.0091 BFGS: 7 14:49:15 -8.778310 0.0022 BFGS: 8 14:49:15 -8.778310 0.0001 BFGS: 9 14:49:15 -8.778310 0.0000 BFGS: 10 14:49:15 -8.778310 0.0000 BFGS: 11 14:49:15 -8.778310 0.0000 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, 5.076006086248115e-37], [-1.259370426401058, 2.1812935640763143, 7.1431580043897384e-37], [1.292069483707988e-36, 1.0036726889184462e-35, 4.055773182173901]]) forces = [[-4.24692959e-68 -3.29899227e-67 -1.33310038e-31] [ 4.24692959e-68 3.29899227e-67 1.33310038e-31]] stress = [-8.96598777e-11 -8.96598777e-11 -2.64688659e-10 -6.96630824e-34 -3.60259218e-46 -6.35979504e-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