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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 ==== 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 15:44:54 -15.240478 0.942460 BFGS: 1 15:44:54 -15.282776 0.884982 BFGS: 2 15:44:54 -15.428834 0.872927 BFGS: 3 15:44:54 -15.557705 0.936728 BFGS: 4 15:44:54 -15.664159 0.857160 BFGS: 5 15:44:54 -15.742488 0.662534 BFGS: 6 15:44:54 -15.786838 0.439569 BFGS: 7 15:44:54 -15.803178 0.499151 BFGS: 8 15:44:54 -15.810865 0.463319 BFGS: 9 15:44:54 -15.831600 0.275967 BFGS: 10 15:44:54 -15.849384 0.191089 BFGS: 11 15:44:54 -15.864049 0.212895 BFGS: 12 15:44:54 -15.868834 0.256241 BFGS: 13 15:44:54 -15.872807 0.252884 BFGS: 14 15:44:54 -15.878082 0.171014 BFGS: 15 15:44:54 -15.880778 0.067848 BFGS: 16 15:44:54 -15.881395 0.004934 BFGS: 17 15:44:54 -15.881400 0.003341 BFGS: 18 15:44:54 -15.881401 0.003326 BFGS: 19 15:44:54 -15.881401 0.003154 BFGS: 20 15:44:54 -15.881403 0.002338 BFGS: 21 15:44:54 -15.881404 0.001184 BFGS: 22 15:44:54 -15.881405 0.000566 BFGS: 23 15:44:54 -15.881405 0.000134 BFGS: 24 15:44:54 -15.881405 0.000013 BFGS: 25 15:44:54 -15.881405 0.000002 BFGS: 26 15:44:54 -15.881405 0.000000 BFGS: 27 15:44:54 -15.881405 0.000000 BFGS: 28 15:44:54 -15.881405 0.000000 Minimization converged after 28 steps. Maximum force component: 1.4217824569583148e-09 eV/Angstrom Maximum stress component: 3.570355941218681e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 3.33333333e-01 2.50000000e-01] [2.22956381e-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([[2.7353385718173744, -4.465931347094841e-37, 0.0], [-9.049830289385425e-36, 4.737745379842947, 0.0], [0.0, 0.0, 4.224110356991995]]) forces = [[ 2.71582555e-45 -1.42178246e-09 2.60330900e-32] [-2.71582555e-45 1.42178246e-09 -2.60330900e-32] [ 2.71582555e-45 -1.42178246e-09 5.20661800e-32] [-2.71582555e-45 1.42178246e-09 -5.20661800e-32]] stress = [ 3.28176103e-10 -1.12609869e-11 3.57035594e-10 0.00000000e+00 0.00000000e+00 -9.51125123e-34] energy per atom = -3.970351266892968 =============================================== 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.