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 16:46:14 -16.957355 1.792881 BFGS: 1 16:46:14 -17.030558 1.702653 BFGS: 2 16:46:14 -17.152695 1.529294 BFGS: 3 16:46:14 -17.249968 1.338681 BFGS: 4 16:46:14 -17.324608 1.132439 BFGS: 5 16:46:14 -17.379745 0.914484 BFGS: 6 16:46:14 -17.419884 0.694383 BFGS: 7 16:46:14 -17.449850 0.721899 BFGS: 8 16:46:14 -17.475514 0.852655 BFGS: 9 16:46:14 -17.501364 0.916456 BFGS: 10 16:46:14 -17.529635 0.907482 BFGS: 11 16:46:14 -17.560999 0.815722 BFGS: 12 16:46:14 -17.595254 0.612527 BFGS: 13 16:46:14 -17.624227 0.342172 BFGS: 14 16:46:14 -17.636806 0.156722 BFGS: 15 16:46:14 -17.638327 0.048580 BFGS: 16 16:46:14 -17.638588 0.052533 BFGS: 17 16:46:14 -17.638869 0.048476 BFGS: 18 16:46:14 -17.639374 0.042708 BFGS: 19 16:46:14 -17.639747 0.052638 BFGS: 20 16:46:14 -17.639991 0.037664 BFGS: 21 16:46:14 -17.640131 0.012796 BFGS: 22 16:46:14 -17.640144 0.007369 BFGS: 23 16:46:14 -17.640147 0.007309 BFGS: 24 16:46:14 -17.640153 0.005983 BFGS: 25 16:46:14 -17.640158 0.003384 BFGS: 26 16:46:14 -17.640161 0.001434 BFGS: 27 16:46:14 -17.640162 0.000355 BFGS: 28 16:46:14 -17.640162 0.000032 BFGS: 29 16:46:14 -17.640162 0.000003 BFGS: 30 16:46:14 -17.640162 0.000000 BFGS: 31 16:46:14 -17.640162 0.000000 Minimization converged after 31 steps. Maximum force component: 1.2666064168034304e-09 eV/Angstrom Maximum stress component: 6.217493419179238e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[1.88069913e-36 3.33333333e-01 2.50000000e-01] [1.65962992e-36 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([[2.5120170341575845, -3.1036317982946254e-36, 0.0], [-7.476927516827692e-37, 4.350941133719396, 0.0], [0.0, 0.0, 4.075298569315948]]) forces = [[ 3.09630005e-32 1.26660642e-09 -1.00463866e-31] [ 2.22546566e-32 -1.26660642e-09 1.00463866e-31] [ 1.54815002e-32 1.26660642e-09 0.00000000e+00] [ 2.51574379e-32 -1.26660642e-09 0.00000000e+00]] stress = [-5.23038600e-10 -2.04624256e-10 -6.21749342e-10 0.00000000e+00 0.00000000e+00 1.12775477e-33] energy per atom = -4.410040307555729 =============================================== 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.