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: MEAM_LAMMPS_JeongParkDo_2018_PdCo__MO_101997554790_002 ==== 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 16:46:23 -16.703462 2.294712 BFGS: 1 16:46:23 -16.804954 2.190574 BFGS: 2 16:46:23 -16.943828 2.020428 BFGS: 3 16:46:23 -17.064700 1.835643 BFGS: 4 16:46:23 -17.168425 1.636462 BFGS: 5 16:46:23 -17.256103 1.423246 BFGS: 6 16:46:23 -17.329049 1.196550 BFGS: 7 16:46:23 -17.388790 0.957263 BFGS: 8 16:46:23 -17.437075 0.706859 BFGS: 9 16:46:23 -17.475939 0.694626 BFGS: 10 16:46:23 -17.507809 0.763349 BFGS: 11 16:46:23 -17.535666 0.779787 BFGS: 12 16:46:23 -17.563210 0.757860 BFGS: 13 16:46:23 -17.595005 0.612925 BFGS: 14 16:46:23 -17.622698 0.409900 BFGS: 15 16:46:23 -17.635024 0.143250 BFGS: 16 16:46:23 -17.636310 0.046567 BFGS: 17 16:46:23 -17.636406 0.043181 BFGS: 18 16:46:23 -17.636486 0.035750 BFGS: 19 16:46:23 -17.636633 0.020778 BFGS: 20 16:46:23 -17.636776 0.020333 BFGS: 21 16:46:23 -17.636844 0.009359 BFGS: 22 16:46:23 -17.636855 0.001822 BFGS: 23 16:46:23 -17.636856 0.000419 BFGS: 24 16:46:23 -17.636856 0.000395 BFGS: 25 16:46:23 -17.636856 0.000402 BFGS: 26 16:46:23 -17.636856 0.000305 BFGS: 27 16:46:23 -17.636856 0.000169 BFGS: 28 16:46:23 -17.636856 0.000041 BFGS: 29 16:46:23 -17.636856 0.000004 BFGS: 30 16:46:23 -17.636856 0.000000 BFGS: 31 16:46:23 -17.636856 0.000000 BFGS: 32 16:46:23 -17.636856 0.000000 Minimization converged after 32 steps. Maximum force component: 2.5117252288459074e-10 eV/Angstrom Maximum stress component: 1.1192689833862438e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0. 0.33333333 0.25 ] [0. 0.66666667 0.75 ] [0.5 0.83333333 0.25 ] [0.5 0.16666667 0.75 ]] cellpar = Cell([[2.5023088976066252, -5.1658888036921844e-36, 0.0], [5.7560242889598644e-36, 4.334126146518838, 0.0], [0.0, 0.0, 4.075717420084488]]) forces = [[-3.33574772e-46 -2.51172523e-10 2.51185479e-32] [ 3.85541731e-33 2.51172523e-10 -2.51185479e-32] [-3.33574772e-46 -2.51172523e-10 5.02370958e-32] [ 3.33574772e-46 2.51172523e-10 -5.02370958e-32]] stress = [ 1.03478642e-10 -5.74728748e-12 -1.11926898e-10 0.00000000e+00 0.00000000e+00 -1.42065297e-34] energy per atom = -4.409213994265152 =============================================== 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.