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_2004_Co__MO_924630542818_005 ==== 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 16:19:00 -8.589907 1.472178 BFGS: 1 16:19:00 -8.672540 1.148603 BFGS: 2 16:19:00 -8.776710 0.197654 BFGS: 3 16:19:00 -8.779214 0.038917 BFGS: 4 16:19:00 -8.779296 0.002954 BFGS: 5 16:19:00 -8.779296 0.003714 BFGS: 6 16:19:00 -8.779297 0.005807 BFGS: 7 16:19:00 -8.779300 0.007322 BFGS: 8 16:19:00 -8.779304 0.007132 BFGS: 9 16:19:00 -8.779307 0.004073 BFGS: 10 16:19:00 -8.779308 0.001069 BFGS: 11 16:19:00 -8.779308 0.000183 BFGS: 12 16:19:00 -8.779308 0.000020 BFGS: 13 16:19:00 -8.779308 0.000006 BFGS: 14 16:19:00 -8.779308 0.000001 BFGS: 15 16:19:00 -8.779308 0.000000 Minimization converged after 15 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.76125361287047e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8114151357328856, -1.3835794362320404e-34, 1.1258637870963921e-32], [1.3003772766892117e-34, 2.811415135732886, 1.5369609403673633e-17], [-3.303183921649723e-33, 1.5252894736025112e-17, 2.8114151302057935]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.76125361e-10 7.76125361e-10 5.61286644e-10 1.01016143e-25 1.21831767e-35 -2.21955893e-51] energy per atom = -4.389653807631811 =============================================== 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.