element(s): ['Si'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.4673'] 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 = 227 cell = [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]] ========================================= Step Time Energy fmax BFGS: 0 15:42:14 -37.025201 0.253532 BFGS: 1 15:42:14 -37.027858 0.235541 BFGS: 2 15:42:14 -37.045035 0.008613 BFGS: 3 15:42:14 -37.045059 0.000316 BFGS: 4 15:42:14 -37.045059 0.000000 BFGS: 5 15:42:14 -37.045059 0.000000 Minimization converged after 5 steps. Maximum force component: 7.112798307392968e-32 eV/Angstrom Maximum stress component: 1.2122226123000597e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[3.65927088e-33 5.84200278e-33 2.48496711e-33] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 7.12597270e-33 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[5.431141221598287, -2.3905967430246998e-34, 4.8115060070334034e-36], [1.1819159678619529e-33, 5.431141221598287, -1.74495120144992e-20], [1.7901026061910504e-35, -1.744951201449951e-20, 5.431141221598287]]) forces = [[ 3.62613247e-32 -3.69586579e-32 1.18743100e-52] [-5.02079881e-32 -3.90506574e-32 -1.95253287e-32] [ 3.34719920e-32 -6.69439841e-32 5.02079881e-32] [-2.78933267e-32 5.99706524e-32 2.37093277e-32] [ 1.39466633e-32 3.06826594e-32 2.37093277e-32] [-2.09199950e-32 2.78933267e-32 1.95253287e-32] [ 1.95253287e-32 -7.11279831e-32 1.95253287e-32] [ 2.78933267e-33 -2.37093277e-32 -6.13653187e-32]] stress = [ 1.21222261e-12 1.21222261e-12 1.21222261e-12 -1.00719445e-29 2.53959129e-63 9.84125434e-62] energy per atom = -4.630632346888072 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0