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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_001 ==== 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 17:46:26 -16.703504 2.294463 BFGS: 1 17:46:26 -16.805093 2.190166 BFGS: 2 17:46:27 -16.944182 2.019716 BFGS: 3 17:46:27 -17.065290 1.834575 BFGS: 4 17:46:28 -17.169245 1.634990 BFGS: 5 17:46:28 -17.257121 1.421331 BFGS: 6 17:46:28 -17.330216 1.194162 BFGS: 7 17:46:29 -17.390042 0.954396 BFGS: 8 17:46:29 -17.438343 0.703552 BFGS: 9 17:46:30 -17.477158 0.694402 BFGS: 10 17:46:30 -17.508934 0.762883 BFGS: 11 17:46:31 -17.536697 0.778576 BFGS: 12 17:46:31 -17.564206 0.754512 BFGS: 13 17:46:32 -17.596068 0.606900 BFGS: 14 17:46:32 -17.623320 0.399020 BFGS: 15 17:46:33 -17.635146 0.135331 BFGS: 16 17:46:33 -17.636335 0.046145 BFGS: 17 17:46:33 -17.636427 0.042524 BFGS: 18 17:46:34 -17.636502 0.035067 BFGS: 19 17:46:34 -17.636642 0.020579 BFGS: 20 17:46:35 -17.636779 0.019493 BFGS: 21 17:46:35 -17.636845 0.008637 BFGS: 22 17:46:36 -17.636855 0.001437 BFGS: 23 17:46:36 -17.636856 0.000173 BFGS: 24 17:46:36 -17.636856 0.000006 BFGS: 25 17:46:37 -17.636856 0.000003 BFGS: 26 17:46:37 -17.636856 0.000002 BFGS: 27 17:46:38 -17.636856 0.000002 BFGS: 28 17:46:38 -17.636856 0.000002 BFGS: 29 17:46:39 -17.636856 0.000002 BFGS: 30 17:46:39 -17.636856 0.000002 BFGS: 31 17:46:40 -17.636856 0.000002 BFGS: 32 17:46:40 -17.636856 0.000002 BFGS: 33 17:46:40 -17.636856 0.000002 BFGS: 34 17:46:41 -17.636856 0.000001 BFGS: 35 17:46:41 -17.636856 0.000001 BFGS: 36 17:46:42 -17.636856 0.000001 BFGS: 37 17:46:42 -17.636856 0.000001 BFGS: 38 17:46:43 -17.636856 0.000001 BFGS: 39 17:46:43 -17.636856 0.000001 BFGS: 40 17:46:43 -17.636856 0.000001 BFGS: 41 17:46:44 -17.636856 0.000001 BFGS: 42 17:46:44 -17.636856 0.000001 BFGS: 43 17:46:44 -17.636856 0.000001 BFGS: 44 17:46:45 -17.636856 0.000001 BFGS: 45 17:46:45 -17.636856 0.000001 BFGS: 46 17:46:45 -17.636856 0.000001 BFGS: 47 17:46:46 -17.636856 0.000001 BFGS: 48 17:46:46 -17.636856 0.000001 BFGS: 49 17:46:47 -17.636856 0.000001 BFGS: 50 17:46:47 -17.636856 0.000000 BFGS: 51 17:46:48 -17.636856 0.000000 BFGS: 52 17:46:48 -17.636856 0.000000 BFGS: 53 17:46:48 -17.636856 0.000000 BFGS: 54 17:46:49 -17.636856 0.000000 BFGS: 55 17:46:49 -17.636856 0.000000 BFGS: 56 17:46:50 -17.636856 0.000000 BFGS: 57 17:46:50 -17.636856 0.000000 BFGS: 58 17:46:51 -17.636856 0.000000 BFGS: 59 17:46:51 -17.636856 0.000000 BFGS: 60 17:46:51 -17.636856 0.000000 BFGS: 61 17:46:52 -17.636856 0.000000 BFGS: 62 17:46:52 -17.636856 0.000000 BFGS: 63 17:46:53 -17.636856 0.000000 BFGS: 64 17:46:53 -17.636856 0.000000 BFGS: 65 17:46:54 -17.636856 0.000000 BFGS: 66 17:46:54 -17.636856 0.000000 BFGS: 67 17:46:55 -17.636856 0.000000 BFGS: 68 17:46:55 -17.636856 0.000000 BFGS: 69 17:46:55 -17.636856 0.000000 BFGS: 70 17:46:56 -17.636856 0.000000 BFGS: 71 17:46:56 -17.636856 0.000000 BFGS: 72 17:46:57 -17.636856 0.000000 BFGS: 73 17:46:57 -17.636856 0.000000 BFGS: 74 17:46:58 -17.636856 0.000000 BFGS: 75 17:46:58 -17.636856 0.000000 BFGS: 76 17:46:58 -17.636856 0.000000 BFGS: 77 17:46:59 -17.636856 0.000000 BFGS: 78 17:46:59 -17.636856 0.000000 BFGS: 79 17:46:59 -17.636856 0.000000 BFGS: 80 17:47:00 -17.636856 0.000000 BFGS: 81 17:47:00 -17.636856 0.000000 BFGS: 82 17:47:00 -17.636856 0.000000 BFGS: 83 17:47:01 -17.636856 0.000000 BFGS: 84 17:47:01 -17.636856 0.000000 BFGS: 85 17:47:02 -17.636856 0.000000 BFGS: 86 17:47:02 -17.636856 0.000000 BFGS: 87 17:47:02 -17.636856 0.000000 BFGS: 88 17:47:03 -17.636856 0.000000 BFGS: 89 17:47:03 -17.636856 0.000000 BFGS: 90 17:47:03 -17.636856 0.000000 BFGS: 91 17:47:04 -17.636856 0.000000 BFGS: 92 17:47:04 -17.636856 0.000000 BFGS: 93 17:47:04 -17.636856 0.000000 BFGS: 94 17:47:05 -17.636856 0.000000 BFGS: 95 17:47:05 -17.636856 0.000000 BFGS: 96 17:47:05 -17.636856 0.000000 BFGS: 97 17:47:06 -17.636856 0.000000 BFGS: 98 17:47:06 -17.636856 0.000000 BFGS: 99 17:47:07 -17.636856 0.000000 BFGS: 100 17:47:07 -17.636856 0.000000 BFGS: 101 17:47:07 -17.636856 0.000000 BFGS: 102 17:47:08 -17.636856 0.000000 BFGS: 103 17:47:08 -17.636856 0.000000 BFGS: 104 17:47:09 -17.636856 0.000000 BFGS: 105 17:47:09 -17.636856 0.000000 BFGS: 106 17:47:10 -17.636856 0.000000 BFGS: 107 17:47:10 -17.636856 0.000000 BFGS: 108 17:47:11 -17.636856 0.000000 BFGS: 109 17:47:11 -17.636856 0.000000 Minimization converged after 109 steps. Maximum force component: 1.1208791781455035e-08 eV/Angstrom Maximum stress component: 8.955180279920543e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 3.33333333e-01 2.50000000e-01] [1.01566279e-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([[2.5023088960470634, -1.5300151481694347e-36, 0.0], [-1.7709570914979692e-36, 4.334126148115226, 0.0], [0.0, 0.0, 4.075717421048244]]) forces = [[-4.57999805e-45 1.12087918e-08 0.00000000e+00] [ 4.57999805e-45 -1.12087918e-08 0.00000000e+00] [-3.85541731e-33 1.12087918e-08 0.00000000e+00] [ 4.57999805e-45 -1.12087918e-08 0.00000000e+00]] stress = [-8.95518028e-10 6.20013583e-10 1.93155490e-10 0.00000000e+00 0.00000000e+00 -2.84130595e-34] energy per atom = -4.409213994265153 =============================================== 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.