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_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_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 18:03:19 -8.753721 1.182172 BFGS: 1 18:03:19 -8.774838 0.931969 BFGS: 2 18:03:19 -8.806895 0.326506 BFGS: 3 18:03:19 -8.811207 0.267534 BFGS: 4 18:03:19 -8.814299 0.223699 BFGS: 5 18:03:19 -8.816916 0.077002 BFGS: 6 18:03:19 -8.817275 0.019506 BFGS: 7 18:03:19 -8.817291 0.001065 BFGS: 8 18:03:19 -8.817291 0.000048 BFGS: 9 18:03:19 -8.817291 0.000001 BFGS: 10 18:03:19 -8.817291 0.000000 BFGS: 11 18:03:19 -8.817291 0.000000 Minimization converged after 11 steps. Maximum force component: 7.708386161346479e-33 eV/Angstrom Maximum stress component: 2.595904000723413e-11 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([[2.501514328120791, -6.026845726963369e-20, -2.3340955542698452e-36], [-1.2507571640603956, 2.166374956083367, -1.6442837910213983e-35], [-2.812035284283091e-36, 1.0408698162100955e-35, 4.190100648312351]]) forces = [[-7.70838616e-33 4.45043883e-33 -2.89839460e-68] [-7.70838616e-33 4.45043883e-33 -2.89839460e-68]] stress = [-1.44445247e-11 -1.44445247e-11 -2.59590400e-11 2.26313847e-34 3.91987082e-34 -6.13548436e-27] energy per atom = -4.408645715317751 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0