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_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== 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 16:46:28 -16.957564 1.794523 BFGS: 1 16:46:28 -17.030866 1.704780 BFGS: 2 16:46:28 -17.152838 1.529672 BFGS: 3 16:46:28 -17.250136 1.339442 BFGS: 4 16:46:28 -17.324822 1.133354 BFGS: 5 16:46:28 -17.380018 0.915738 BFGS: 6 16:46:28 -17.419967 0.694062 BFGS: 7 16:46:28 -17.449957 0.721381 BFGS: 8 16:46:28 -17.475637 0.851572 BFGS: 9 16:46:28 -17.501455 0.915808 BFGS: 10 16:46:28 -17.529695 0.907200 BFGS: 11 16:46:28 -17.561040 0.815576 BFGS: 12 16:46:28 -17.595245 0.613454 BFGS: 13 16:46:28 -17.624292 0.344253 BFGS: 14 16:46:28 -17.636988 0.157963 BFGS: 15 16:46:28 -17.638536 0.049437 BFGS: 16 16:46:29 -17.638805 0.053182 BFGS: 17 16:46:29 -17.639088 0.048855 BFGS: 18 16:46:29 -17.639600 0.042707 BFGS: 19 16:46:29 -17.640236 0.055089 BFGS: 20 16:46:29 -17.640709 0.037923 BFGS: 21 16:46:29 -17.640855 0.011585 BFGS: 22 16:46:29 -17.640866 0.006711 BFGS: 23 16:46:29 -17.640869 0.006634 BFGS: 24 16:46:29 -17.640873 0.005567 BFGS: 25 16:46:29 -17.640878 0.003344 BFGS: 26 16:46:29 -17.640881 0.001572 BFGS: 27 16:46:29 -17.640881 0.000407 BFGS: 28 16:46:29 -17.640881 0.000033 BFGS: 29 16:46:29 -17.640881 0.000003 BFGS: 30 16:46:29 -17.640881 0.000000 BFGS: 31 16:46:29 -17.640881 0.000000 Minimization converged after 31 steps. Maximum force component: 1.2853901757068797e-09 eV/Angstrom Maximum stress component: 1.128364251283549e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[1.20370622e-35 3.33333333e-01 2.50000000e-01] [1.15389464e-35 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([[2.5117019426825933, -9.940303757834561e-37, 0.0], [-1.701310899191171e-35, 4.3503953780518465, 0.0], [0.0, 0.0, 4.0754222057777465]]) forces = [[-1.54795583e-32 1.28539018e-09 -1.00466914e-31] [ 1.54795583e-32 -1.28539018e-09 1.00466914e-31] [-1.54795583e-32 1.28539018e-09 -2.00933828e-31] [ 1.54795583e-32 -1.28539018e-09 2.00933828e-31]] stress = [-2.08557495e-11 1.12836425e-10 -8.66844302e-11 0.00000000e+00 0.00000000e+00 -5.64018869e-34] energy per atom = -4.4102202697800745 =============================================== 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.