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: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Co__MO_247800397145_000 ==== 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 14:57:12 -8.589908 1.472326 BFGS: 1 14:57:12 -8.672547 1.148807 BFGS: 2 14:57:12 -8.776709 0.197928 BFGS: 3 14:57:12 -8.779214 0.039339 BFGS: 4 14:57:13 -8.779297 0.003008 BFGS: 5 14:57:13 -8.779297 0.003664 BFGS: 6 14:57:13 -8.779299 0.006111 BFGS: 7 14:57:13 -8.779302 0.007410 BFGS: 8 14:57:13 -8.779306 0.006392 BFGS: 9 14:57:13 -8.779309 0.002952 BFGS: 10 14:57:13 -8.779309 0.000654 BFGS: 11 14:57:13 -8.779309 0.000045 BFGS: 12 14:57:13 -8.779309 0.000006 BFGS: 13 14:57:13 -8.779309 0.000000 BFGS: 14 14:57:13 -8.779309 0.000000 Minimization converged after 14 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.396377411659638e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.811425193616208, -4.196444135193986e-34, 9.55396952007273e-34], [-6.524495141608135e-34, 2.8114251936162082, 2.8736437298406525e-19], [-1.0594417479954252e-33, 2.864451290953991e-19, 2.8114251916418724]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 5.39637741e-10 5.39637741e-10 4.42988476e-10 -7.95511144e-27 4.87323570e-35 -3.94525703e-52] energy per atom = -4.389654575205677 =============================================== 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.