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 16:19:13 -8.531104 1.452636 BFGS: 1 16:19:13 -8.611808 1.152038 BFGS: 2 16:19:13 -8.719377 0.254904 BFGS: 3 16:19:13 -8.723635 0.058808 BFGS: 4 16:19:13 -8.723799 0.007887 BFGS: 5 16:19:13 -8.723801 0.008869 BFGS: 6 16:19:13 -8.723815 0.011181 BFGS: 7 16:19:13 -8.723822 0.007641 BFGS: 8 16:19:13 -8.723826 0.001994 BFGS: 9 16:19:13 -8.723826 0.000328 BFGS: 10 16:19:13 -8.723826 0.000011 BFGS: 11 16:19:13 -8.723826 0.000001 BFGS: 12 16:19:13 -8.723826 0.000000 BFGS: 13 16:19:13 -8.723826 0.000000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.4264449752531565e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8078280322809963, 2.444847091090709e-35, 4.682752492292976e-33], [3.4733324747706577e-35, 2.807828032280996, -1.388816740721973e-18], [4.210872615936784e-36, -1.3845674455038147e-18, 2.8078280321807987]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [3.42644498e-11 3.42644498e-11 1.97863437e-11 4.62955756e-27 3.90858407e-34 1.43512994e-49] 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.