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_Lee_2007_Si__MO_774917820956_000 ==== 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 15:51:52 -67.930881 1.196096 BFGS: 1 15:51:52 -68.219856 0.918067 BFGS: 2 15:51:52 -68.692733 0.333804 BFGS: 3 15:51:52 -68.779884 0.379446 BFGS: 4 15:51:52 -68.806536 0.388281 BFGS: 5 15:51:52 -68.820817 0.376435 BFGS: 6 15:51:52 -68.839320 0.336484 BFGS: 7 15:51:52 -68.864028 0.250290 BFGS: 8 15:51:52 -68.885792 0.147460 BFGS: 9 15:51:52 -68.906251 0.071594 BFGS: 10 15:51:52 -68.917223 0.024442 BFGS: 11 15:51:52 -68.918174 0.009449 BFGS: 12 15:51:52 -68.918232 0.000103 BFGS: 13 15:51:52 -68.918232 0.000003 BFGS: 14 15:51:52 -68.918232 0.000000 BFGS: 15 15:51:52 -68.918232 0.000000 Minimization converged after 15 steps. Maximum force component: 4.333476921392583e-11 eV/Angstrom Maximum stress component: 1.7429132731699553e-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([[6.564201951089074, 5.801893142971814e-37, 0.0], [6.59041371959103e-37, 6.564201951089074, 0.0], [0.0, 0.0, 6.564201951089074]]) forces = [[-4.33347692e-11 -4.33347692e-11 -4.33347692e-11] [ 4.33347692e-11 4.33347692e-11 -4.33347692e-11] [ 4.33347692e-11 -4.33347692e-11 4.33347692e-11] [-4.33347692e-11 4.33347692e-11 4.33347692e-11] [-4.33347692e-11 -4.33347692e-11 -4.33347692e-11] [ 4.33347692e-11 4.33347692e-11 -4.33347692e-11] [ 4.33347692e-11 -4.33347692e-11 4.33347692e-11] [-4.33347692e-11 4.33347692e-11 4.33347692e-11] [ 4.33347692e-11 4.33347692e-11 4.33347692e-11] [-4.33347692e-11 -4.33347692e-11 4.33347692e-11] [-4.33347692e-11 4.33347692e-11 -4.33347692e-11] [ 4.33347692e-11 -4.33347692e-11 -4.33347692e-11] [ 4.33347692e-11 4.33347692e-11 4.33347692e-11] [-4.33347692e-11 -4.33347692e-11 4.33347692e-11] [-4.33347692e-11 4.33347692e-11 -4.33347692e-11] [ 4.33347692e-11 -4.33347692e-11 -4.33347692e-11]] stress = [1.74291327e-11 1.74291327e-11 1.74291327e-11 0.00000000e+00 0.00000000e+00 1.32839465e-63] energy per atom = -4.307389473205091 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0