element(s): ['Cu'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6146'] model name: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 16:55:57 -14.159976 0.0111 BFGS: 1 16:55:57 -14.159981 0.0099 BFGS: 2 16:55:57 -14.160000 0.0000 BFGS: 3 16:55:57 -14.160000 0.0000 BFGS: 4 16:55:57 -14.160000 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4139217786295655e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.03326817e-40]] cellpar = Cell([[3.6133156424756314, 1.8193375600730267e-32, -3.942460985493986e-33], [1.8193375619864567e-32, 3.6133156424756314, -5.047863829312915e-24], [3.0637063046236144e-33, -5.0478638270388056e-24, 3.6133156424756314]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.41392178e-14 1.41392178e-14 1.41392178e-14 -1.75922557e-32 6.88391445e-35 2.18581876e-52] energy per atom = -3.540000000069225 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0