element(s): ['Li'] AFLOW prototype label: A_cI16_220_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.8469', '0.24794728'] model name: MEAM_LAMMPS_FuemmelerVita_2023_Li__MO_386038428339_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Li'] representative atom coordinates = [[0.24794728 0.24794728 0.24794728]] spacegroup = 220 cell = [[6.8469, 0, 0], [0, 6.8469, 0], [0, 0, 6.8469]] ========================================= Step Time Energy fmax BFGS: 0 09:53:49 -30.373085 0.029886 BFGS: 1 09:53:49 -30.373124 0.029734 BFGS: 2 09:53:49 -30.376308 0.012130 BFGS: 3 09:53:49 -30.376985 0.001520 BFGS: 4 09:53:49 -30.376986 0.001520 BFGS: 5 09:53:49 -30.376987 0.001516 BFGS: 6 09:53:49 -30.376991 0.001499 BFGS: 7 09:53:49 -30.377000 0.001705 BFGS: 8 09:53:49 -30.377023 0.002638 BFGS: 9 09:53:49 -30.377069 0.003580 BFGS: 10 09:53:49 -30.377141 0.003766 BFGS: 11 09:53:49 -30.377206 0.002425 BFGS: 12 09:53:49 -30.377230 0.000645 BFGS: 13 09:53:49 -30.377232 0.000046 BFGS: 14 09:53:49 -30.377232 0.000005 BFGS: 15 09:53:49 -30.377232 0.000001 BFGS: 16 09:53:49 -30.377232 0.000000 BFGS: 17 09:53:49 -30.377232 0.000000 Minimization converged after 17 steps. Maximum force component: 3.200662266710016e-11 eV/Angstrom Maximum stress component: 6.760238668632668e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li'] basis = [[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] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [6.44900266e-11 5.00000000e-01 1.00000000e+00] [1.00000000e+00 6.44899308e-11 5.00000000e-01] [5.00000000e-01 1.00000000e+00 6.44900628e-11] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [1.00000000e+00 1.00000000e+00 1.00000000e+00] [5.00000000e-01 6.44899342e-11 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.44900625e-11] [6.44900266e-11 5.00000000e-01 5.00000000e-01]] cellpar = Cell([[6.883904389991277, 4.232031141987675e-33, 1.7961222860286035e-32], [2.112870583455165e-32, 6.883904389991276, 5.847862611552248e-18], [3.487121941253964e-33, 5.847862611552274e-18, 6.883904389991277]]) forces = [[ 3.20066227e-11 3.20066227e-11 3.20066227e-11] [-3.20066227e-11 -3.20066227e-11 3.20066227e-11] [-3.20066227e-11 3.20066227e-11 -3.20066227e-11] [ 3.20066227e-11 -3.20066227e-11 -3.20066227e-11] [ 3.20066227e-11 3.20066227e-11 3.20066227e-11] [-3.20066227e-11 -3.20066227e-11 3.20066227e-11] [ 3.20066227e-11 -3.20066227e-11 -3.20066227e-11] [-3.20066227e-11 3.20066227e-11 -3.20066227e-11] [ 3.20066227e-11 3.20066227e-11 3.20066227e-11] [-3.20066227e-11 -3.20066227e-11 3.20066227e-11] [-3.20066227e-11 3.20066227e-11 -3.20066227e-11] [ 3.20066227e-11 -3.20066227e-11 -3.20066227e-11] [ 3.20066227e-11 3.20066227e-11 3.20066227e-11] [-3.20066227e-11 -3.20066227e-11 3.20066227e-11] [ 3.20066227e-11 -3.20066227e-11 -3.20066227e-11] [-3.20066227e-11 3.20066227e-11 -3.20066227e-11]] stress = [-6.76023867e-12 -6.76023867e-12 -6.76023867e-12 -1.25666753e-27 -1.08377607e-35 -4.48085920e-51] energy per atom = -1.8985770286172317 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_cI16_220_c, while relaxed is A_cI2_229_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.