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_DongKimKo_2012_CoAl__MO_099716416216_001 ==== 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 15:42:21 -8.804731 0.580689 BFGS: 1 15:42:21 -8.809938 0.447973 BFGS: 2 15:42:21 -8.816714 0.094156 BFGS: 3 15:42:21 -8.817153 0.098850 BFGS: 4 15:42:21 -8.818152 0.065067 BFGS: 5 15:42:21 -8.818387 0.023378 BFGS: 6 15:42:21 -8.818427 0.005574 BFGS: 7 15:42:21 -8.818428 0.000448 BFGS: 8 15:42:21 -8.818428 0.000018 BFGS: 9 15:42:21 -8.818428 0.000001 BFGS: 10 15:42:21 -8.818428 0.000000 Minimization converged after 10 steps. Maximum force component: 2.827306026216126e-32 eV/Angstrom Maximum stress component: 5.439102458934069e-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([[2.5023088973929397, -2.4570282042352936e-18, -4.714368426863119e-37], [-1.2511544486964699, 2.167063073258115, 6.770978278827555e-37], [-5.747932439077323e-37, 6.223365541601122e-36, 4.075717419381914]]) forces = [[ 2.31325039e-32 -4.45185244e-33 -5.26491766e-69] [ 2.82730603e-32 -1.33555573e-32 -8.04687603e-69]] stress = [-2.05876522e-10 -2.05876522e-10 -5.43910246e-10 -4.65182735e-34 -2.01430033e-34 3.38366834e-26] energy per atom = -4.4092139942651265 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0