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_FuemmelerVita_2023_Li__MO_386038428339_000 ==== 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 15:51:58 -5.694462 0.0571 BFGS: 1 15:51:58 -5.694567 0.0553 BFGS: 2 15:51:58 -5.696153 0.0079 BFGS: 3 15:51:58 -5.696155 0.0086 BFGS: 4 15:51:58 -5.696157 0.0089 BFGS: 5 15:51:58 -5.696164 0.0086 BFGS: 6 15:51:58 -5.696175 0.0067 BFGS: 7 15:51:58 -5.696185 0.0031 BFGS: 8 15:51:58 -5.696189 0.0010 BFGS: 9 15:51:58 -5.696190 0.0002 BFGS: 10 15:51:58 -5.696190 0.0000 BFGS: 11 15:51:58 -5.696190 0.0000 BFGS: 12 15:51:58 -5.696190 0.0000 BFGS: 13 15:51:58 -5.696190 0.0000 Minimization converged after 13 steps. Maximum force component: 2.573894429325798e-32 eV/Angstrom Maximum stress component: 1.6954099207219233e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li'] basis = [[3.08148791e-33 0.00000000e+00 2.15704154e-32] [6.66666667e-01 3.33333333e-01 3.33333333e-01] [3.33333333e-01 6.66666667e-01 6.66666667e-01]] cellpar = Cell([[3.0690018190279487, 3.4613182104384297e-18, 2.3265209284196702e-17], [-1.5345009095139746, 2.657833539538857, 4.14968227216319e-17], [-3.9044121726988416e-16, 3.768841029855676e-16, 7.517488477268606]]) forces = [[ 2.36427300e-33 -3.18503186e-33 1.28694721e-33] [ 1.05078800e-33 -3.64003641e-33 -2.57389443e-32] [ 2.10157600e-33 -3.64003641e-33 -5.68319811e-50]] stress = [-1.69540992e-11 -1.69540992e-11 6.10114498e-12 4.22243614e-26 1.34479455e-26 4.55071825e-27] energy per atom = -1.8987298633590626 =============================================== 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.