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_KimJungLee_2012_LiMg__MO_427397414195_002 ==== 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 15:41:14 -26.297510 0.103165 BFGS: 1 15:41:14 -26.297969 0.102631 BFGS: 2 15:41:14 -26.312159 0.084735 BFGS: 3 15:41:14 -26.323681 0.067217 BFGS: 4 15:41:14 -26.332592 0.050071 BFGS: 5 15:41:14 -26.338973 0.034021 BFGS: 6 15:41:14 -26.343136 0.021652 BFGS: 7 15:41:14 -26.345898 0.018025 BFGS: 8 15:41:14 -26.349084 0.029598 BFGS: 9 15:41:14 -26.355136 0.055354 BFGS: 10 15:41:14 -26.365076 0.073213 BFGS: 11 15:41:14 -26.373632 0.015488 BFGS: 12 15:41:14 -26.373243 0.040516 BFGS: 13 15:41:14 -26.373887 0.014428 BFGS: 14 15:41:14 -26.373937 0.013364 BFGS: 15 15:41:14 -26.374225 0.003373 BFGS: 16 15:41:14 -26.374230 0.000188 BFGS: 17 15:41:14 -26.374230 0.000012 BFGS: 18 15:41:14 -26.374230 0.000000 BFGS: 19 15:41:14 -26.374230 0.000000 Minimization converged after 19 steps. Maximum force component: 1.1492607802347949e-11 eV/Angstrom Maximum stress component: 7.54409083858535e-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] [1.00000000e+00 5.00000000e-01 3.56159546e-13] [3.56159546e-13 1.00000000e+00 5.00000000e-01] [5.00000000e-01 3.55937502e-13 1.00000000e+00] [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] [3.56159546e-13 3.55937502e-13 3.56159546e-13] [5.00000000e-01 1.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.00000000e+00] [1.00000000e+00 5.00000000e-01 5.00000000e-01]] cellpar = Cell([[7.064222084269289, -1.382377596422445e-32, 7.02107975472404e-34], [-8.372524782047397e-33, 7.064222084269288, -1.0070760343951938e-18], [-1.3436472311406855e-33, -1.0070760343952015e-18, 7.064222084269289]]) forces = [[-1.14926078e-11 -1.14926078e-11 -1.14926078e-11] [ 1.14926078e-11 1.14926078e-11 -1.14926078e-11] [ 1.14926078e-11 -1.14926078e-11 1.14926078e-11] [-1.14926078e-11 1.14926078e-11 1.14926078e-11] [-1.14926078e-11 -1.14926078e-11 -1.14926078e-11] [ 1.14926078e-11 1.14926078e-11 -1.14926078e-11] [-1.14926078e-11 1.14926078e-11 1.14926078e-11] [ 1.14926078e-11 -1.14926078e-11 1.14926078e-11] [-1.14926078e-11 -1.14926078e-11 -1.14926078e-11] [ 1.14926078e-11 1.14926078e-11 -1.14926078e-11] [ 1.14926078e-11 -1.14926078e-11 1.14926078e-11] [-1.14926078e-11 1.14926078e-11 1.14926078e-11] [-1.14926078e-11 -1.14926078e-11 -1.14926078e-11] [ 1.14926078e-11 1.14926078e-11 -1.14926078e-11] [-1.14926078e-11 1.14926078e-11 1.14926078e-11] [ 1.14926078e-11 -1.14926078e-11 1.14926078e-11]] stress = [ 7.54409084e-12 7.54409084e-12 7.54409084e-12 6.58721817e-29 1.33638236e-51 -2.95002982e-60] energy per atom = -1.6483893734919801 =============================================== 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.