element(s): ['Si'] AFLOW prototype label: A_hP1_191_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.6513', '0.93471127'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 191 cell = [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]] ========================================= Step Time Energy fmax BFGS: 0 17:55:33 -3.882825 4.257645 BFGS: 1 17:55:33 -4.178481 1.517478 BFGS: 2 17:55:33 -4.208211 0.277341 BFGS: 3 17:55:33 -4.209695 0.056172 BFGS: 4 17:55:33 -4.209757 0.008137 BFGS: 5 17:55:33 -4.209758 0.001500 BFGS: 6 17:55:33 -4.209758 0.000055 BFGS: 7 17:55:33 -4.209758 0.000004 BFGS: 8 17:55:33 -4.209758 0.000000 BFGS: 9 17:55:33 -4.209758 0.000000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2231074839942908e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.8278708257952596, -2.526866334216326e-17, -2.6823908923982844e-35], [-1.4139354128976298, 2.449007973759574, -6.607197953506258e-35], [3.6783909862941674e-38, 4.1907828109083964e-35, 2.6299604755993222]]) forces = [[0. 0. 0.]] stress = [ 7.17144066e-11 7.17144066e-11 -1.22310748e-10 -3.67768207e-45 -6.64180869e-46 -2.93741653e-26] energy per atom = -4.209758135868452 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0