element(s): ['Si'] AFLOW prototype label: A_cI16_206_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.657', '0.10135586'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0.10135586 0.10135586 0.10135586]] spacegroup = 206 cell = [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]] ========================================= Step Time Energy fmax BFGS: 0 17:38:52 -67.930881 1.1961 BFGS: 1 17:38:52 -68.219856 0.9181 BFGS: 2 17:38:52 -68.692733 0.3338 BFGS: 3 17:38:52 -68.779884 0.3794 BFGS: 4 17:38:52 -68.806536 0.3883 BFGS: 5 17:38:52 -68.820817 0.3764 BFGS: 6 17:38:52 -68.839320 0.3365 BFGS: 7 17:38:52 -68.864028 0.2503 BFGS: 8 17:38:52 -68.885792 0.1475 BFGS: 9 17:38:52 -68.906251 0.0716 BFGS: 10 17:38:52 -68.917223 0.0244 BFGS: 11 17:38:52 -68.918174 0.0094 BFGS: 12 17:38:52 -68.918232 0.0001 BFGS: 13 17:38:52 -68.918232 0.0000 BFGS: 14 17:38:52 -68.918232 0.0000 BFGS: 15 17:38:52 -68.918232 0.0000 Minimization converged after 15 steps. Maximum force component: 4.356316550068467e-11 eV/Angstrom Maximum stress component: 1.7566518776932505e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.11209191 0.11209191 0.11209191] [0.38790809 0.88790809 0.61209191] [0.88790809 0.61209191 0.38790809] [0.61209191 0.38790809 0.88790809] [0.61209191 0.61209191 0.61209191] [0.88790809 0.38790809 0.11209191] [0.38790809 0.11209191 0.88790809] [0.11209191 0.88790809 0.38790809] [0.88790809 0.88790809 0.88790809] [0.61209191 0.11209191 0.38790809] [0.11209191 0.38790809 0.61209191] [0.38790809 0.61209191 0.11209191] [0.38790809 0.38790809 0.38790809] [0.11209191 0.61209191 0.88790809] [0.61209191 0.88790809 0.11209191] [0.88790809 0.11209191 0.61209191]] cellpar = Cell([[6.564201950448104, 1.0073290266833973e-36, 0.0], [-5.50348064794275e-38, 6.564201950448104, 0.0], [0.0, 0.0, 6.564201950448104]]) forces = [[-4.35631655e-11 -4.35631655e-11 -4.35631655e-11] [ 4.35631655e-11 4.35631655e-11 -4.35631655e-11] [ 4.35631655e-11 -4.35631655e-11 4.35631655e-11] [-4.35631655e-11 4.35631655e-11 4.35631655e-11] [-4.35631655e-11 -4.35631655e-11 -4.35631655e-11] [ 4.35631655e-11 4.35631655e-11 -4.35631655e-11] [ 4.35631655e-11 -4.35631655e-11 4.35631655e-11] [-4.35631655e-11 4.35631655e-11 4.35631655e-11] [ 4.35631655e-11 4.35631655e-11 4.35631655e-11] [-4.35631655e-11 -4.35631655e-11 4.35631655e-11] [-4.35631655e-11 4.35631655e-11 -4.35631655e-11] [ 4.35631655e-11 -4.35631655e-11 -4.35631655e-11] [ 4.35631655e-11 4.35631655e-11 4.35631655e-11] [-4.35631655e-11 -4.35631655e-11 4.35631655e-11] [-4.35631655e-11 4.35631655e-11 -4.35631655e-11] [ 4.35631655e-11 -4.35631655e-11 -4.35631655e-11]] stress = [ 1.75665188e-11 1.75665188e-11 1.75665188e-11 0.00000000e+00 0.00000000e+00 -8.93168088e-65] energy per atom = -4.307389473136078 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0