element(s): ['Co'] AFLOW prototype label: A_oC4_63_c Parameter names: ['a', 'b/a', 'c/a', 'y1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.4688', '2.0780541', '1.6128483', '0.3625698'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0. 0.3625698 0.25 ]] spacegroup = 63 cell = [[2.4688, 0, 0], [0, 5.1303, 0], [0, 0, 3.9818]] ========================================= Step Time Energy fmax BFGS: 0 16:35:40 -16.957355 1.7929 BFGS: 1 16:35:40 -17.030558 1.7027 BFGS: 2 16:35:40 -17.152695 1.5293 BFGS: 3 16:35:40 -17.249968 1.3387 BFGS: 4 16:35:40 -17.324608 1.1324 BFGS: 5 16:35:40 -17.379745 0.9145 BFGS: 6 16:35:40 -17.419884 0.6944 BFGS: 7 16:35:40 -17.449850 0.7219 BFGS: 8 16:35:40 -17.475514 0.8527 BFGS: 9 16:35:40 -17.501364 0.9165 BFGS: 10 16:35:40 -17.529635 0.9075 BFGS: 11 16:35:40 -17.560999 0.8157 BFGS: 12 16:35:40 -17.595254 0.6125 BFGS: 13 16:35:40 -17.624227 0.3422 BFGS: 14 16:35:40 -17.636806 0.1567 BFGS: 15 16:35:40 -17.638327 0.0486 BFGS: 16 16:35:40 -17.638588 0.0525 BFGS: 17 16:35:40 -17.638869 0.0485 BFGS: 18 16:35:40 -17.639374 0.0427 BFGS: 19 16:35:40 -17.639747 0.0526 BFGS: 20 16:35:40 -17.639991 0.0377 BFGS: 21 16:35:40 -17.640131 0.0128 BFGS: 22 16:35:40 -17.640144 0.0074 BFGS: 23 16:35:40 -17.640147 0.0073 BFGS: 24 16:35:40 -17.640153 0.0060 BFGS: 25 16:35:40 -17.640158 0.0034 BFGS: 26 16:35:40 -17.640161 0.0014 BFGS: 27 16:35:40 -17.640162 0.0004 BFGS: 28 16:35:40 -17.640162 0.0000 BFGS: 29 16:35:40 -17.640162 0.0000 BFGS: 30 16:35:40 -17.640162 0.0000 BFGS: 31 16:35:40 -17.640162 0.0000 Minimization converged after 31 steps. Maximum force component: 1.2666080729351575e-09 eV/Angstrom Maximum stress component: 6.217491819021033e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[2.25694915e-36 3.33333333e-01 2.50000000e-01] [0.00000000e+00 6.66666667e-01 7.50000000e-01] [5.00000000e-01 8.33333333e-01 2.50000000e-01] [5.00000000e-01 1.66666667e-01 7.50000000e-01]] cellpar = Cell([[2.512017034157584, -2.7557084767127734e-36, 0.0], [2.231381313452013e-36, 4.350941133719395, 0.0], [0.0, 0.0, 4.075298569315949]]) forces = [[ 6.49580286e-46 1.26660807e-09 0.00000000e+00] [-6.49580286e-46 -1.26660807e-09 0.00000000e+00] [ 6.49580286e-46 1.26660807e-09 2.51159666e-32] [-6.49580286e-46 -1.26660807e-09 -2.51159666e-32]] stress = [-5.23038888e-10 -2.04624372e-10 -6.21749182e-10 0.00000000e+00 0.00000000e+00 2.81938692e-34] energy per atom = -4.410040307555728 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.