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 14:40:22 -3.882825 4.2576 BFGS: 1 14:40:22 -4.178481 1.5175 BFGS: 2 14:40:22 -4.208211 0.2773 BFGS: 3 14:40:22 -4.209695 0.0562 BFGS: 4 14:40:22 -4.209757 0.0081 BFGS: 5 14:40:22 -4.209758 0.0015 BFGS: 6 14:40:22 -4.209758 0.0001 BFGS: 7 14:40:22 -4.209758 0.0000 BFGS: 8 14:40:22 -4.209758 0.0000 BFGS: 9 14:40:22 -4.209758 0.0000 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, -2.2022445148212437e-17, 5.406717982161609e-37], [-1.4139354128976298, 2.449007973759574, -2.0321732234372118e-36], [1.0328298884385778e-35, -2.196603287578811e-34, 2.6299604755993222]]) forces = [[0. 0. 0.]] stress = [ 7.17144066e-11 7.17144066e-11 -1.22310748e-10 2.09685380e-44 4.96103528e-45 -3.05254876e-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