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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 14:49:16 -8.753721 1.1822 BFGS: 1 14:49:16 -8.774838 0.9320 BFGS: 2 14:49:16 -8.806895 0.3265 BFGS: 3 14:49:16 -8.811207 0.2675 BFGS: 4 14:49:16 -8.814299 0.2237 BFGS: 5 14:49:16 -8.816916 0.0770 BFGS: 6 14:49:16 -8.817275 0.0195 BFGS: 7 14:49:16 -8.817291 0.0011 BFGS: 8 14:49:16 -8.817291 0.0000 BFGS: 9 14:49:16 -8.817291 0.0000 BFGS: 10 14:49:16 -8.817291 0.0000 BFGS: 11 14:49:16 -8.817291 0.0000 Minimization converged after 11 steps. Maximum force component: 6.166708929074188e-32 eV/Angstrom Maximum stress component: 2.5957800562688833e-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([[2.501514328119576, -8.470282144308752e-18, -7.605424377697127e-36], [-1.250757164059788, 2.166374956082316, -1.5450272611896846e-35], [-3.0818795765415414e-37, -1.0805621524849762e-34, 4.190100648308744]]) forces = [[ 6.16670893e-32 -3.56035106e-32 1.28926960e-67] [-6.16670893e-32 3.56035106e-32 -1.28926960e-67]] stress = [-1.44446761e-11 -1.44446761e-11 -2.59578006e-11 1.69735386e-34 -9.79967705e-35 -3.14525912e-27] energy per atom = -4.4086457153169585 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0