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_DuLenoskyHennig_2011_Si__MO_883726743759_001 ==== 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 10:56:58 -3.861057 1.804894 BFGS: 1 10:56:58 -3.987937 2.530560 BFGS: 2 10:56:58 -4.149027 2.346377 BFGS: 3 10:56:58 -4.140025 1.835625 BFGS: 4 10:56:58 -4.175574 0.526305 BFGS: 5 10:56:58 -4.177448 0.196771 BFGS: 6 10:56:59 -4.177691 0.026970 BFGS: 7 10:56:59 -4.177699 0.010131 BFGS: 8 10:56:59 -4.177700 0.000029 BFGS: 9 10:56:59 -4.177700 0.000000 BFGS: 10 10:56:59 -4.177700 0.000000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.327318985870137e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si'] basis = [[0. 0. 0.]] cellpar = Cell([[2.4838539555836148, 4.383191391305412e-17, -2.1090988567349903e-35], [-1.2419269777918074, 2.151080624825875, 6.020482332547763e-35], [4.917044994792579e-35, -9.829575535798277e-35, 2.379106671918915]]) forces = [[0. 0. 0.]] stress = [-1.32731899e-10 -1.32731899e-10 6.78679137e-12 5.51951991e-34 8.69098992e-35 -5.31706900e-26] energy per atom = -4.1777003279911264 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0