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 17:01:38 -8.753721 1.182172 BFGS: 1 17:01:38 -8.774838 0.931969 BFGS: 2 17:01:38 -8.806895 0.326506 BFGS: 3 17:01:38 -8.811207 0.267534 BFGS: 4 17:01:38 -8.814299 0.223699 BFGS: 5 17:01:38 -8.816916 0.077002 BFGS: 6 17:01:38 -8.817275 0.019506 BFGS: 7 17:01:38 -8.817291 0.001065 BFGS: 8 17:01:38 -8.817291 0.000048 BFGS: 9 17:01:38 -8.817291 0.000001 BFGS: 10 17:01:38 -8.817291 0.000000 BFGS: 11 17:01:38 -8.817291 0.000000 Minimization converged after 11 steps. Maximum force component: 1.0277848215123644e-32 eV/Angstrom Maximum stress component: 2.595853640652011e-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([[2.5015143281195757, -6.579801010986308e-18, 1.956682496718691e-37], [-1.2507571640597879, 2.166374956082316, 2.3150972173201846e-37], [3.234824431944207e-36, -2.3318056972399705e-35, 4.190100648308743]]) forces = [[-1.02778482e-32 2.70341030e-50 8.60782966e-33] [-1.02778482e-32 2.70341030e-50 -8.60782966e-33]] stress = [-1.44451768e-11 -1.44451768e-11 -2.59585364e-11 -6.78941542e-34 4.02338240e-46 -1.01318896e-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