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_694335101831_001 ==== 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 15:10:58 -14.159976 0.011126 BFGS: 1 15:10:58 -14.159981 0.009884 BFGS: 2 15:10:58 -14.160000 0.000021 BFGS: 3 15:10:58 -14.160000 0.000000 BFGS: 4 15:10:58 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3741678562745181e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.6133156355530334, -9.865309931398035e-33, 4.0441696137599395e-37], [-7.950723661545381e-33, 3.6133156355530334, -5.351780459735837e-22], [1.264347573665689e-34, -5.3517804597376625e-22, 3.6133156355530334]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.37416786e-14 1.37416786e-14 1.37416786e-14 -6.25333697e-32 2.92056195e-42 -8.49445614e-60] energy per atom = -3.54000000005286 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0