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_KimSeolJi_2017_PtCo__MO_545073984441_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 1.452646 BFGS: 1 16:19:13 -8.611808 1.152049 BFGS: 2 16:19:13 -8.719376 0.254924 BFGS: 3 16:19:13 -8.723635 0.058828 BFGS: 4 16:19:13 -8.723798 0.007904 BFGS: 5 16:19:13 -8.723800 0.008884 BFGS: 6 16:19:13 -8.723815 0.011179 BFGS: 7 16:19:13 -8.723822 0.007612 BFGS: 8 16:19:13 -8.723825 0.001977 BFGS: 9 16:19:13 -8.723826 0.000323 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: 3.274365642998582e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8078280536023175, 1.854914314344599e-35, -9.895237910370906e-33], [-1.69084070975875e-35, 2.8078280536023175, 8.733485317171275e-18], [-6.287597358071601e-37, 8.679878521043581e-18, 2.8078280535059923]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 3.27436564e-11 3.27436564e-11 1.87868250e-11 -1.68541925e-27 -2.93143800e-34 -1.10922817e-50] energy per atom = -4.361912754485979 =============================================== 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.