element(s): ['Li'] AFLOW prototype label: A_hR1_166_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: ['3.0399777', '2.4670212'] model name: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0 0 0]] spacegroup = 166 cell = [[3.04, 0, 0], [-1.52, 2.6327172275047, 0], [0, 0, 7.4997]] ========================================= Step Time Energy fmax BFGS: 0 14:58:46 -4.902623 0.053725 BFGS: 1 14:58:46 -4.902720 0.052466 BFGS: 2 14:58:46 -4.904701 0.004676 BFGS: 3 14:58:46 -4.904705 0.006037 BFGS: 4 14:58:46 -4.904705 0.006155 BFGS: 5 14:58:46 -4.904711 0.006158 BFGS: 6 14:58:46 -4.904717 0.005173 BFGS: 7 14:58:46 -4.904725 0.002654 BFGS: 8 14:58:46 -4.904728 0.000871 BFGS: 9 14:58:46 -4.904729 0.000173 BFGS: 10 14:58:46 -4.904729 0.000023 BFGS: 11 14:58:46 -4.904729 0.000002 BFGS: 12 14:58:46 -4.904729 0.000000 BFGS: 13 14:58:46 -4.904729 0.000000 Minimization converged after 13 steps. Maximum force component: 3.0956444471946667e-32 eV/Angstrom Maximum stress component: 2.5603016948279037e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li'] basis = [[6.87309729e-33 2.73702110e-33 1.26683392e-32] [6.66666667e-01 3.33333333e-01 3.33333333e-01] [3.33333333e-01 6.66666667e-01 6.66666667e-01]] cellpar = Cell([[3.075928552224921, 9.580621923481892e-18, 4.267067441259862e-17], [-1.5379642761124608, 2.6638322664526703, 7.910689629500965e-17], [-3.434799318948018e-16, 5.124473967951835e-16, 7.534455439832649]]) forces = [[ 1.31644953e-33 -4.56031496e-34 1.67680741e-32] [-1.31644953e-33 4.56031496e-34 -3.09564445e-32] [ 1.31644953e-33 -4.56031496e-34 1.54782222e-32]] stress = [-2.56030169e-11 -2.56030169e-11 2.83652953e-12 1.92890193e-26 4.90920028e-27 1.41987407e-26] energy per atom = -1.6349096656073232 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_hR1_166_a, while relaxed is A_cF4_225_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.