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_OhSeolLee_2020_CoTi__MO_862371677648_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 21:20:02 -16.703462 2.294712 BFGS: 1 21:20:02 -16.804954 2.190574 BFGS: 2 21:20:02 -16.943828 2.020428 BFGS: 3 21:20:02 -17.064700 1.835643 BFGS: 4 21:20:02 -17.168425 1.636462 BFGS: 5 21:20:02 -17.256103 1.423246 BFGS: 6 21:20:02 -17.329049 1.196550 BFGS: 7 21:20:02 -17.388790 0.957263 BFGS: 8 21:20:02 -17.437075 0.706859 BFGS: 9 21:20:02 -17.475939 0.694626 BFGS: 10 21:20:02 -17.507809 0.763349 BFGS: 11 21:20:02 -17.535666 0.779787 BFGS: 12 21:20:03 -17.563210 0.757860 BFGS: 13 21:20:03 -17.595005 0.612926 BFGS: 14 21:20:03 -17.622698 0.409900 BFGS: 15 21:20:03 -17.635024 0.143249 BFGS: 16 21:20:03 -17.636310 0.046566 BFGS: 17 21:20:03 -17.636406 0.043181 BFGS: 18 21:20:03 -17.636486 0.035751 BFGS: 19 21:20:03 -17.636633 0.020777 BFGS: 20 21:20:03 -17.636776 0.020333 BFGS: 21 21:20:03 -17.636844 0.009359 BFGS: 22 21:20:03 -17.636855 0.001822 BFGS: 23 21:20:03 -17.636856 0.000419 BFGS: 24 21:20:03 -17.636856 0.000395 BFGS: 25 21:20:03 -17.636856 0.000402 BFGS: 26 21:20:03 -17.636856 0.000305 BFGS: 27 21:20:03 -17.636856 0.000169 BFGS: 28 21:20:03 -17.636856 0.000041 BFGS: 29 21:20:03 -17.636856 0.000005 BFGS: 30 21:20:03 -17.636856 0.000000 BFGS: 31 21:20:03 -17.636856 0.000000 BFGS: 32 21:20:03 -17.636856 0.000000 Minimization converged after 32 steps. Maximum force component: 2.5133885077355256e-10 eV/Angstrom Maximum stress component: 1.1198542297837687e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 3.33333333e-01 2.50000000e-01] [3.24290724e-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([[2.5023088864843133, -5.323024067961313e-36, 0.0], [-2.4398693277526543e-36, 4.3341261272542395, 0.0], [0.0, 0.0, 4.075717476307914]]) forces = [[ 1.41489642e-46 -2.51338851e-10 0.00000000e+00] [-1.41489642e-46 2.51338851e-10 0.00000000e+00] [ 1.41489642e-46 -2.51338851e-10 0.00000000e+00] [-1.41489642e-46 2.51338851e-10 0.00000000e+00]] stress = [ 1.03514117e-10 -5.76721258e-12 -1.11985423e-10 0.00000000e+00 0.00000000e+00 -1.77581623e-35] energy per atom = -4.40921399403434 =============================================== 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.