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_OhSeolLee_2020_CoV__MO_771146361182_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 18:03:32 -8.804731 0.580689 BFGS: 1 18:03:32 -8.809938 0.447973 BFGS: 2 18:03:32 -8.816714 0.094156 BFGS: 3 18:03:32 -8.817153 0.098850 BFGS: 4 18:03:32 -8.818152 0.065068 BFGS: 5 18:03:32 -8.818387 0.023378 BFGS: 6 18:03:32 -8.818427 0.005574 BFGS: 7 18:03:32 -8.818428 0.000448 BFGS: 8 18:03:32 -8.818428 0.000018 BFGS: 9 18:03:32 -8.818428 0.000001 BFGS: 10 18:03:32 -8.818428 0.000000 Minimization converged after 10 steps. Maximum force component: 4.4518524219896144e-32 eV/Angstrom Maximum stress component: 5.449872494619243e-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([[2.502308886272176, -3.634053529775471e-19, 4.635021996839852e-39], [-1.251154443136088, 2.1670630636272503, 8.610745097560378e-38], [-1.568926392223786e-36, 4.636005411719432e-36, 4.075717475598191]]) forces = [[ 5.14055639e-33 4.45185242e-32 4.18642471e-33] [-1.54216692e-32 8.90370484e-33 -4.18642471e-33]] stress = [-2.06399087e-10 -2.06399087e-10 -5.44987249e-10 -8.72217620e-35 2.51787539e-34 1.07478925e-26] energy per atom = -4.409213994034343 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0