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_HuangDongLiu_2018_Si__MO_050147023220_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 17:38:51 -71.669905 0.4508 BFGS: 1 17:38:51 -71.707861 0.2544 BFGS: 2 17:38:51 -71.725809 0.2655 BFGS: 3 17:38:51 -71.729213 0.2548 BFGS: 4 17:38:51 -71.758114 0.1348 BFGS: 5 17:38:51 -71.769492 0.0191 BFGS: 6 17:38:51 -71.769732 0.0004 BFGS: 7 17:38:51 -71.769732 0.0000 BFGS: 8 17:38:51 -71.769732 0.0000 Minimization converged after 8 steps. Maximum force component: 5.6760457069187714e-09 eV/Angstrom Maximum stress component: 3.997279989732265e-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 = [[0.10003035 0.10003035 0.10003035] [0.39996965 0.89996965 0.60003035] [0.89996965 0.60003035 0.39996965] [0.60003035 0.39996965 0.89996965] [0.60003035 0.60003035 0.60003035] [0.89996965 0.39996965 0.10003035] [0.39996965 0.10003035 0.89996965] [0.10003035 0.89996965 0.39996965] [0.89996965 0.89996965 0.89996965] [0.60003035 0.10003035 0.39996965] [0.10003035 0.39996965 0.60003035] [0.39996965 0.60003035 0.10003035] [0.39996965 0.39996965 0.39996965] [0.10003035 0.60003035 0.89996965] [0.60003035 0.89996965 0.10003035] [0.89996965 0.10003035 0.60003035]] cellpar = Cell([[6.70882968286, 1.2264247159263071e-37, 0.0], [1.678418670222978e-39, 6.70882968286, 0.0], [0.0, 0.0, 6.70882968286]]) forces = [[-5.67604571e-09 -5.67604571e-09 -5.67604571e-09] [ 5.67604571e-09 5.67604571e-09 -5.67604571e-09] [ 5.67604571e-09 -5.67604571e-09 5.67604571e-09] [-5.67604571e-09 5.67604571e-09 5.67604571e-09] [-5.67604571e-09 -5.67604571e-09 -5.67604571e-09] [ 5.67604571e-09 5.67604571e-09 -5.67604571e-09] [ 5.67604571e-09 -5.67604571e-09 5.67604571e-09] [-5.67604571e-09 5.67604571e-09 5.67604571e-09] [ 5.67604571e-09 5.67604571e-09 5.67604571e-09] [-5.67604571e-09 -5.67604571e-09 5.67604571e-09] [-5.67604571e-09 5.67604571e-09 -5.67604571e-09] [ 5.67604571e-09 -5.67604571e-09 -5.67604571e-09] [ 5.67604571e-09 5.67604571e-09 5.67604571e-09] [-5.67604571e-09 -5.67604571e-09 5.67604571e-09] [-5.67604571e-09 5.67604571e-09 -5.67604571e-09] [ 5.67604571e-09 -5.67604571e-09 -5.67604571e-09]] stress = [3.99727999e-11 3.99727999e-11 3.99727999e-11 0.00000000e+00 0.00000000e+00 3.65145256e-34] energy per atom = -4.485608242367922 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0