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_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 16:19:14 -8.589936 1.472519 BFGS: 1 16:19:14 -8.672602 1.149073 BFGS: 2 16:19:14 -8.776850 0.198844 BFGS: 3 16:19:14 -8.779382 0.039292 BFGS: 4 16:19:14 -8.779466 0.002872 BFGS: 5 16:19:14 -8.779466 0.003539 BFGS: 6 16:19:14 -8.779468 0.005852 BFGS: 7 16:19:14 -8.779470 0.007236 BFGS: 8 16:19:14 -8.779474 0.006559 BFGS: 9 16:19:14 -8.779477 0.003284 BFGS: 10 16:19:14 -8.779478 0.000792 BFGS: 11 16:19:14 -8.779478 0.000065 BFGS: 12 16:19:14 -8.779478 0.000007 BFGS: 13 16:19:14 -8.779478 0.000000 BFGS: 14 16:19:14 -8.779478 0.000000 BFGS: 15 16:19:14 -8.779478 0.000000 Minimization converged after 15 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.6181100075994478e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8113423627509126, -1.0676353485676877e-35, -1.6445720774410266e-32], [6.295641529995243e-36, 2.811342362750913, 2.3858961300839446e-18], [-1.641051060240682e-33, 2.3655955373933926e-18, 2.8113423626710894]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.61811001e-11 2.61811001e-11 2.24148470e-11 -6.26027188e-27 2.43676143e-34 -6.05413289e-50] energy per atom = -4.389738813351246 =============================================== 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.