element(s): ['Co'] AFLOW prototype label: A_tI2_139_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: ['2.9317', '0.99628202'] model name: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 139 cell = [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]] ========================================= Step Time Energy fmax BFGS: 0 22:59:12 -8.531104 1.452636 BFGS: 1 22:59:12 -8.611808 1.152038 BFGS: 2 22:59:12 -8.719377 0.254904 BFGS: 3 22:59:12 -8.723635 0.058808 BFGS: 4 22:59:12 -8.723799 0.007887 BFGS: 5 22:59:12 -8.723801 0.008869 BFGS: 6 22:59:12 -8.723815 0.011181 BFGS: 7 22:59:12 -8.723822 0.007641 BFGS: 8 22:59:13 -8.723826 0.001994 BFGS: 9 22:59:13 -8.723826 0.000328 BFGS: 10 22:59:13 -8.723826 0.000011 BFGS: 11 22:59:13 -8.723826 0.000001 BFGS: 12 22:59:13 -8.723826 0.000000 BFGS: 13 22:59:13 -8.723826 0.000000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.426373883081522e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.807828032280996, 3.125541891675718e-35, 2.313831133061482e-33], [4.310627756980801e-36, 2.8078280322809963, -3.4286517461824454e-19], [-1.149445329246817e-32, -3.410924980708486e-19, 2.807828032180797]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 3.42637388e-11 3.42637388e-11 1.97853676e-11 -3.63825280e-27 -3.90858407e-34 -1.19747948e-51] energy per atom = -4.361912897135978 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_tI2_139_a, 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.