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_WangOhLee_2020_CuCo__MO_849011491644_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 18:03:39 -8.804731 0.580677 BFGS: 1 18:03:39 -8.809938 0.447966 BFGS: 2 18:03:39 -8.816714 0.094157 BFGS: 3 18:03:39 -8.817153 0.098852 BFGS: 4 18:03:39 -8.818152 0.065068 BFGS: 5 18:03:39 -8.818387 0.023378 BFGS: 6 18:03:39 -8.818427 0.005574 BFGS: 7 18:03:39 -8.818428 0.000448 BFGS: 8 18:03:39 -8.818428 0.000018 BFGS: 9 18:03:39 -8.818428 0.000001 BFGS: 10 18:03:39 -8.818428 0.000000 Minimization converged after 10 steps. Maximum force component: 3.3491397155823304e-32 eV/Angstrom Maximum stress component: 5.439814944825395e-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([[2.5023088971237066, -3.3177760127355283e-18, -1.1013283641857431e-36], [-1.2511544485618533, 2.1670630730249516, -3.352736793489094e-36], [3.0372460021247716e-36, -3.136510703536529e-37, 4.075717411877897]]) forces = [[-2.49579649e-68 2.57736528e-69 -3.34913972e-32] [ 2.49579649e-68 -2.57736528e-69 3.34913972e-32]] stress = [-2.05916268e-10 -2.05916268e-10 -5.43981494e-10 -2.32591368e-34 -4.02860066e-34 -8.74688885e-26] energy per atom = -4.409213994193521 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0