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_DongKimKo_2012_CoAl__MO_099716416216_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 18:44:43 -16.703504 2.294463 BFGS: 1 18:44:43 -16.805093 2.190166 BFGS: 2 18:44:43 -16.944182 2.019716 BFGS: 3 18:44:43 -17.065290 1.834575 BFGS: 4 18:44:43 -17.169245 1.634990 BFGS: 5 18:44:43 -17.257121 1.421331 BFGS: 6 18:44:43 -17.330216 1.194162 BFGS: 7 18:44:43 -17.390042 0.954396 BFGS: 8 18:44:43 -17.438343 0.703552 BFGS: 9 18:44:43 -17.477158 0.694402 BFGS: 10 18:44:43 -17.508934 0.762883 BFGS: 11 18:44:43 -17.536697 0.778576 BFGS: 12 18:44:43 -17.564206 0.754512 BFGS: 13 18:44:43 -17.596068 0.606900 BFGS: 14 18:44:43 -17.623320 0.399020 BFGS: 15 18:44:43 -17.635146 0.135331 BFGS: 16 18:44:43 -17.636335 0.046145 BFGS: 17 18:44:43 -17.636427 0.042524 BFGS: 18 18:44:43 -17.636502 0.035067 BFGS: 19 18:44:44 -17.636642 0.020579 BFGS: 20 18:44:44 -17.636779 0.019493 BFGS: 21 18:44:44 -17.636845 0.008637 BFGS: 22 18:44:44 -17.636855 0.001437 BFGS: 23 18:44:44 -17.636856 0.000173 BFGS: 24 18:44:44 -17.636856 0.000006 BFGS: 25 18:44:44 -17.636856 0.000003 BFGS: 26 18:44:44 -17.636856 0.000002 BFGS: 27 18:44:44 -17.636856 0.000002 BFGS: 28 18:44:44 -17.636856 0.000002 BFGS: 29 18:44:44 -17.636856 0.000002 BFGS: 30 18:44:44 -17.636856 0.000002 BFGS: 31 18:44:44 -17.636856 0.000002 BFGS: 32 18:44:44 -17.636856 0.000002 BFGS: 33 18:44:44 -17.636856 0.000002 BFGS: 34 18:44:44 -17.636856 0.000001 BFGS: 35 18:44:44 -17.636856 0.000001 BFGS: 36 18:44:44 -17.636856 0.000001 BFGS: 37 18:44:44 -17.636856 0.000001 BFGS: 38 18:44:44 -17.636856 0.000001 BFGS: 39 18:44:44 -17.636856 0.000001 BFGS: 40 18:44:44 -17.636856 0.000001 BFGS: 41 18:44:44 -17.636856 0.000001 BFGS: 42 18:44:44 -17.636856 0.000001 BFGS: 43 18:44:44 -17.636856 0.000001 BFGS: 44 18:44:44 -17.636856 0.000001 BFGS: 45 18:44:44 -17.636856 0.000001 BFGS: 46 18:44:44 -17.636856 0.000001 BFGS: 47 18:44:44 -17.636856 0.000001 BFGS: 48 18:44:44 -17.636856 0.000001 BFGS: 49 18:44:44 -17.636856 0.000001 BFGS: 50 18:44:44 -17.636856 0.000000 BFGS: 51 18:44:44 -17.636856 0.000000 BFGS: 52 18:44:44 -17.636856 0.000000 BFGS: 53 18:44:44 -17.636856 0.000000 BFGS: 54 18:44:44 -17.636856 0.000000 BFGS: 55 18:44:44 -17.636856 0.000000 BFGS: 56 18:44:44 -17.636856 0.000000 BFGS: 57 18:44:44 -17.636856 0.000000 BFGS: 58 18:44:44 -17.636856 0.000000 BFGS: 59 18:44:44 -17.636856 0.000000 BFGS: 60 18:44:44 -17.636856 0.000000 BFGS: 61 18:44:44 -17.636856 0.000000 BFGS: 62 18:44:44 -17.636856 0.000000 BFGS: 63 18:44:44 -17.636856 0.000000 BFGS: 64 18:44:44 -17.636856 0.000000 BFGS: 65 18:44:44 -17.636856 0.000000 BFGS: 66 18:44:44 -17.636856 0.000000 BFGS: 67 18:44:44 -17.636856 0.000000 BFGS: 68 18:44:44 -17.636856 0.000000 BFGS: 69 18:44:44 -17.636856 0.000000 BFGS: 70 18:44:44 -17.636856 0.000000 BFGS: 71 18:44:44 -17.636856 0.000000 BFGS: 72 18:44:44 -17.636856 0.000000 BFGS: 73 18:44:44 -17.636856 0.000000 BFGS: 74 18:44:44 -17.636856 0.000000 BFGS: 75 18:44:44 -17.636856 0.000000 BFGS: 76 18:44:44 -17.636856 0.000000 BFGS: 77 18:44:44 -17.636856 0.000000 BFGS: 78 18:44:44 -17.636856 0.000000 BFGS: 79 18:44:44 -17.636856 0.000000 BFGS: 80 18:44:44 -17.636856 0.000000 BFGS: 81 18:44:44 -17.636856 0.000000 BFGS: 82 18:44:44 -17.636856 0.000000 BFGS: 83 18:44:44 -17.636856 0.000000 BFGS: 84 18:44:44 -17.636856 0.000000 BFGS: 85 18:44:44 -17.636856 0.000000 BFGS: 86 18:44:44 -17.636856 0.000000 BFGS: 87 18:44:44 -17.636856 0.000000 BFGS: 88 18:44:44 -17.636856 0.000000 BFGS: 89 18:44:44 -17.636856 0.000000 BFGS: 90 18:44:44 -17.636856 0.000000 BFGS: 91 18:44:44 -17.636856 0.000000 BFGS: 92 18:44:44 -17.636856 0.000000 BFGS: 93 18:44:44 -17.636856 0.000000 BFGS: 94 18:44:44 -17.636856 0.000000 BFGS: 95 18:44:44 -17.636856 0.000000 BFGS: 96 18:44:44 -17.636856 0.000000 BFGS: 97 18:44:44 -17.636856 0.000000 BFGS: 98 18:44:45 -17.636856 0.000000 BFGS: 99 18:44:45 -17.636856 0.000000 BFGS: 100 18:44:45 -17.636856 0.000000 BFGS: 101 18:44:45 -17.636856 0.000000 BFGS: 102 18:44:45 -17.636856 0.000000 BFGS: 103 18:44:45 -17.636856 0.000000 BFGS: 104 18:44:45 -17.636856 0.000000 BFGS: 105 18:44:45 -17.636856 0.000000 BFGS: 106 18:44:45 -17.636856 0.000000 BFGS: 107 18:44:45 -17.636856 0.000000 BFGS: 108 18:44:45 -17.636856 0.000000 BFGS: 109 18:44:45 -17.636856 0.000000 Minimization converged after 109 steps. Maximum force component: 1.1208747874302817e-08 eV/Angstrom Maximum stress component: 8.955148161858635e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[6.11258523e-36 3.33333333e-01 2.50000000e-01] [1.21221752e-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([[2.5023088960452906, 4.8219626978360325e-36, 0.0], [-4.171817378128268e-36, 4.334126148112138, 0.0], [0.0, 0.0, 4.075717421053619]]) forces = [[-1.07889913e-44 1.12087479e-08 0.00000000e+00] [ 1.07889913e-44 -1.12087479e-08 0.00000000e+00] [-1.07889913e-44 1.12087479e-08 2.00948383e-31] [ 1.07889913e-44 -1.12087479e-08 -2.00948383e-31]] stress = [-8.95514816e-10 6.20010540e-10 1.93154208e-10 0.00000000e+00 0.00000000e+00 -2.84130595e-34] energy per atom = -4.409213994265126 =============================================== 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.