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: MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_002 ==== 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 19:19:18 -8.804731 0.580689 BFGS: 1 19:19:18 -8.809938 0.447973 BFGS: 2 19:19:18 -8.816714 0.094156 BFGS: 3 19:19:18 -8.817153 0.098850 BFGS: 4 19:19:18 -8.818152 0.065067 BFGS: 5 19:19:18 -8.818387 0.023378 BFGS: 6 19:19:18 -8.818427 0.005574 BFGS: 7 19:19:18 -8.818428 0.000448 BFGS: 8 19:19:18 -8.818428 0.000018 BFGS: 9 19:19:18 -8.818428 0.000001 BFGS: 10 19:19:18 -8.818428 0.000000 Minimization converged after 10 steps. Maximum force component: 4.626500770175137e-32 eV/Angstrom Maximum stress component: 5.439083382750726e-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([[2.5023088973947214, 5.205562663767495e-18, 9.71218112722036e-38], [-1.2511544486973607, 2.1670630732596563, -9.34186056243447e-37], [-5.386409792352586e-37, -4.728343135440159e-36, 4.075717419376538]]) forces = [[ 4.62650077e-32 -2.67111147e-32 1.27118509e-68] [-4.62650077e-32 2.67111147e-32 -1.27118509e-68]] stress = [-2.05873708e-10 -2.05873708e-10 -5.43908338e-10 1.74443526e-34 3.02145049e-34 -2.51675492e-26] energy per atom = -4.409213994265152 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0