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 09:47:49 -8.589907 1.472178 BFGS: 1 09:47:49 -8.672540 1.148603 BFGS: 2 09:47:49 -8.776710 0.197654 BFGS: 3 09:47:49 -8.779214 0.038917 BFGS: 4 09:47:49 -8.779296 0.002954 BFGS: 5 09:47:49 -8.779296 0.003714 BFGS: 6 09:47:49 -8.779297 0.005807 BFGS: 7 09:47:49 -8.779300 0.007322 BFGS: 8 09:47:49 -8.779304 0.007132 BFGS: 9 09:47:49 -8.779307 0.004073 BFGS: 10 09:47:49 -8.779308 0.001069 BFGS: 11 09:47:49 -8.779308 0.000183 BFGS: 12 09:47:49 -8.779308 0.000020 BFGS: 13 09:47:49 -8.779308 0.000006 BFGS: 14 09:47:49 -8.779308 0.000001 BFGS: 15 09:47:49 -8.779308 0.000000 Minimization converged after 15 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.761234319932728e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.811415135732885, -1.3631074717519845e-34, 8.793595714212294e-33], [1.2981274380724153e-34, 2.811415135732885, 1.6507496971657786e-17], [1.204121367629689e-32, 1.638535087010561e-17, 2.8114151302057913]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.76123432e-10 7.76123432e-10 5.61284660e-10 1.34687973e-25 -1.16958494e-33 -2.68495681e-49] energy per atom = -4.389653807631808 =============================================== 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.