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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_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: 3.855417308479279e-33 eV/Angstrom Maximum stress component: 5.439094314822561e-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([[2.50230889739472, 3.700380345599785e-18, -9.24439724950031e-37], [-1.25115444869736, 2.167063073259655, -2.8235257452539097e-36], [-2.8687550818815588e-36, 2.664472435562326e-36, 4.075717419376538]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.85541731e-33 2.22592622e-33 -1.95067020e-69]] stress = [-2.05875541e-10 -2.05875541e-10 -5.43909431e-10 -8.14069786e-34 2.01430033e-34 -2.29577168e-26] energy per atom = -4.40921399426515 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0