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 17:12:26 -8.804731 0.580689 BFGS: 1 17:12:26 -8.809938 0.447973 BFGS: 2 17:12:26 -8.816714 0.094156 BFGS: 3 17:12:26 -8.817153 0.098850 BFGS: 4 17:12:26 -8.818152 0.065067 BFGS: 5 17:12:26 -8.818387 0.023378 BFGS: 6 17:12:26 -8.818427 0.005574 BFGS: 7 17:12:26 -8.818428 0.000448 BFGS: 8 17:12:26 -8.818428 0.000018 BFGS: 9 17:12:26 -8.818428 0.000001 BFGS: 10 17:12:26 -8.818428 0.000000 Minimization converged after 10 steps. Maximum force component: 2.0562225645222814e-32 eV/Angstrom Maximum stress component: 5.439095175071748e-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([[2.502308897394719, 4.3273826966392676e-18, -9.380148483711842e-37], [-1.2511544486973596, 2.167063073259655, 4.563328205405835e-36], [-1.9027624092063957e-36, -6.476207501673867e-36, 4.075717419376538]]) forces = [[ 2.05622256e-32 -8.90370488e-33 -2.45300838e-68] [-2.05622256e-32 8.90370488e-33 2.45300838e-68]] stress = [-2.05875897e-10 -2.05875897e-10 -5.43909518e-10 1.27925252e-33 2.01430033e-34 3.49384200e-26] energy per atom = -4.4092139942651505 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0