element(s): ['Ge'] 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: ['5.7441'] model name: MEAM_LAMMPS_KimShinLee_2008_Ge__MO_657096500078_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[5.7441, 0, 0], [0, 5.7441, 0], [0, 0, 5.7441]] ========================================= Step Time Energy fmax BFGS: 0 15:26:16 -30.714089 0.465683 BFGS: 1 15:26:16 -30.723144 0.441712 BFGS: 2 15:26:16 -30.775525 0.254647 BFGS: 3 15:26:16 -30.798907 0.054967 BFGS: 4 15:26:16 -30.799998 0.002297 BFGS: 5 15:26:16 -30.800000 0.000019 BFGS: 6 15:26:17 -30.800000 0.000000 Minimization converged after 6 steps. Maximum force component: 1.5110471217401613e-31 eV/Angstrom Maximum stress component: 2.991838194604061e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge'] basis = [[0.00000000e+00 3.72346457e-33 2.20153220e-33] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.62928531e-33] [5.00000000e-01 1.36155450e-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([[5.658032612963606, -7.191266242119625e-34, 3.7618830686883164e-33], [2.171518290179041e-33, 5.658032612963606, -1.2297933033750066e-17], [-2.319619034667503e-34, -1.2297933033750068e-17, 5.658032612963606]]) forces = [[ 1.74351591e-32 1.51104712e-31 9.87992349e-32] [-2.90585985e-32 -6.97406364e-32 -7.55523561e-32] [ 1.74351591e-32 -3.48703182e-32 2.32468788e-32] [-7.55523561e-32 -2.32468788e-32 -5.81171970e-33] [-6.97406364e-32 -6.97406364e-32 -6.35656842e-32] [ 8.71757955e-32 -6.97406364e-32 -1.16234394e-31] [-5.01260824e-32 8.79022604e-32 1.77983916e-32] [ 4.64937576e-32 -3.35990045e-33 -2.32468788e-32]] stress = [ 2.99183819e-10 2.99183819e-10 2.99183819e-10 -2.04194512e-26 -8.62843752e-60 -5.54714051e-61] energy per atom = -3.850000000024419 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0