element(s): ['Si'] AFLOW prototype label: A_oF16_69_gh Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si'] representative atom coordinates = [[0. 0.27623302 0. ] [0.22815526 0. 0. ]] spacegroup = 69 cell = [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]] ========================================= Step Time Energy fmax BFGS: 0 16:51:41 -58.970758 3.6173 BFGS: 1 16:51:41 -59.352746 3.2172 BFGS: 2 16:51:41 -59.610763 2.8839 BFGS: 3 16:51:41 -59.808174 2.6125 BFGS: 4 16:51:41 -59.981812 2.3828 BFGS: 5 16:51:41 -60.145065 2.1811 BFGS: 6 16:51:41 -60.302406 1.9994 BFGS: 7 16:51:41 -60.455167 1.8328 BFGS: 8 16:51:41 -60.603496 1.6781 BFGS: 9 16:51:41 -60.747076 1.5331 BFGS: 10 16:51:41 -60.885416 1.3964 BFGS: 11 16:51:41 -61.017984 1.2667 BFGS: 12 16:51:41 -61.144272 1.1430 BFGS: 13 16:51:41 -61.263838 1.0246 BFGS: 14 16:51:41 -61.376343 0.9110 BFGS: 15 16:51:41 -61.481573 0.8373 BFGS: 16 16:51:41 -61.579431 0.8523 BFGS: 17 16:51:41 -61.669923 0.8648 BFGS: 18 16:51:41 -61.753155 0.8748 BFGS: 19 16:51:41 -61.829339 0.8826 BFGS: 20 16:51:41 -61.898792 0.8886 BFGS: 21 16:51:41 -61.961945 0.8933 BFGS: 22 16:51:41 -62.019354 0.8974 BFGS: 23 16:51:41 -62.071722 0.9022 BFGS: 24 16:51:41 -62.119918 0.9093 BFGS: 25 16:51:41 -62.165005 0.9209 BFGS: 26 16:51:41 -62.208257 0.9402 BFGS: 27 16:51:41 -62.251139 0.9711 BFGS: 28 16:51:41 -62.295216 1.0177 BFGS: 29 16:51:41 -62.341045 1.0833 BFGS: 30 16:51:41 -62.392005 1.1692 BFGS: 31 16:51:41 -62.452185 1.2768 BFGS: 32 16:51:41 -62.523555 1.4025 BFGS: 33 16:51:41 -62.607257 1.5405 BFGS: 34 16:51:41 -62.705318 1.6862 BFGS: 35 16:51:41 -62.819263 1.8346 BFGS: 36 16:51:41 -62.950034 1.9794 BFGS: 37 16:51:42 -63.097865 2.1131 BFGS: 38 16:51:42 -63.262155 2.2272 BFGS: 39 16:51:42 -63.441340 2.3121 BFGS: 40 16:51:42 -63.632812 2.3582 BFGS: 41 16:51:42 -63.832941 2.3651 BFGS: 42 16:51:42 -64.033390 2.4041 BFGS: 43 16:51:42 -64.227183 2.3924 BFGS: 44 16:51:42 -64.409618 2.3306 BFGS: 45 16:51:42 -64.576458 2.2220 BFGS: 46 16:51:42 -64.724292 2.0720 BFGS: 47 16:51:42 -64.850857 1.8883 BFGS: 48 16:51:42 -64.955298 1.6798 BFGS: 49 16:51:42 -65.038327 1.4561 BFGS: 50 16:51:42 -65.102298 1.2268 BFGS: 51 16:51:42 -65.151165 1.1041 BFGS: 52 16:51:42 -65.190236 1.1186 BFGS: 53 16:51:42 -65.225393 1.1296 BFGS: 54 16:51:42 -65.261580 1.1364 BFGS: 55 16:51:42 -65.301723 1.1384 BFGS: 56 16:51:42 -65.346982 1.1351 BFGS: 57 16:51:42 -65.397479 1.1257 BFGS: 58 16:51:42 -65.452791 1.1092 BFGS: 59 16:51:42 -65.508867 1.0856 BFGS: 60 16:51:42 -65.560254 1.0571 BFGS: 61 16:51:42 -65.607606 1.0238 BFGS: 62 16:51:42 -65.651288 0.9859 BFGS: 63 16:51:42 -65.691528 0.9433 BFGS: 64 16:51:42 -65.728480 0.8961 BFGS: 65 16:51:42 -65.762261 0.8442 BFGS: 66 16:51:42 -65.792973 0.7874 BFGS: 67 16:51:42 -65.820717 0.7255 BFGS: 68 16:51:42 -65.845611 0.6585 BFGS: 69 16:51:42 -65.867814 0.5858 BFGS: 70 16:51:42 -65.887552 0.5592 BFGS: 71 16:51:42 -65.905166 0.6269 BFGS: 72 16:51:42 -65.921183 0.6830 BFGS: 73 16:51:42 -65.936432 0.7216 BFGS: 74 16:51:42 -65.952253 0.7305 BFGS: 75 16:51:42 -65.970887 0.6790 BFGS: 76 16:51:42 -65.989098 0.5377 BFGS: 77 16:51:42 -66.005849 0.2880 BFGS: 78 16:51:42 -66.014384 0.1417 BFGS: 79 16:51:42 -66.017717 0.1189 BFGS: 80 16:51:42 -66.019809 0.1025 BFGS: 81 16:51:42 -66.022623 0.1012 BFGS: 82 16:51:42 -66.028266 0.1563 BFGS: 83 16:51:42 -66.045213 0.2877 BFGS: 84 16:51:42 -66.061902 0.3879 BFGS: 85 16:51:42 -66.069586 0.4064 BFGS: 86 16:51:42 -66.079126 0.3370 BFGS: 87 16:51:42 -66.094782 0.1806 BFGS: 88 16:51:42 -66.103270 0.0723 BFGS: 89 16:51:42 -66.104682 0.0317 BFGS: 90 16:51:42 -66.104927 0.0120 BFGS: 91 16:51:42 -66.104961 0.0018 BFGS: 92 16:51:43 -66.104961 0.0005 BFGS: 93 16:51:43 -66.104961 0.0003 BFGS: 94 16:51:43 -66.104961 0.0001 BFGS: 95 16:51:43 -66.104961 0.0000 BFGS: 96 16:51:43 -66.104961 0.0000 BFGS: 97 16:51:43 -66.104961 0.0000 BFGS: 98 16:51:43 -66.104961 0.0000 BFGS: 99 16:51:43 -66.104961 0.0000 Minimization converged after 99 steps. Maximum force component: 2.366729785242828e-10 eV/Angstrom Maximum stress component: 2.8675502172353285e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.68475272e-01 9.42458866e-33] [3.67342881e-38 7.31524728e-01 0.00000000e+00] [0.00000000e+00 7.68475272e-01 5.00000000e-01] [2.35098870e-38 2.31524728e-01 5.00000000e-01] [5.00000000e-01 2.68475272e-01 5.00000000e-01] [5.00000000e-01 7.31524728e-01 5.00000000e-01] [5.00000000e-01 7.68475272e-01 1.88491773e-32] [5.00000000e-01 2.31524728e-01 5.89036791e-33] [2.21225035e-01 1.00000000e+00 0.00000000e+00] [7.78774965e-01 1.00000000e+00 3.86584879e-34] [2.21225035e-01 5.00000000e-01 5.00000000e-01] [7.78774965e-01 5.00000000e-01 5.00000000e-01] [7.21225035e-01 1.00000000e+00 5.00000000e-01] [2.78774965e-01 1.00000000e+00 5.00000000e-01] [7.21225035e-01 5.00000000e-01 4.71229433e-33] [2.78774965e-01 5.00000000e-01 4.71229433e-33]] cellpar = Cell([[6.175885717406957, -2.277497864526083e-53, 1.7172915650034176e-38], [4.764530024038899e-53, 8.43764980304995, 1.776373833044697e-16], [-2.793185950393249e-37, 9.3111026306515e-17, 5.231401429810505]]) forces = [[-8.49034457e-64 -1.50358071e-10 -3.16548030e-27] [ 8.49034457e-64 1.50358071e-10 3.16548030e-27] [-8.49034457e-64 -1.50358071e-10 -3.16548030e-27] [ 8.49034457e-64 1.50358071e-10 3.16548030e-27] [ 1.07048909e-32 -1.50358071e-10 -3.16548030e-27] [ 8.49034457e-64 1.50358071e-10 3.16548030e-27] [ 7.13659394e-33 -1.50358071e-10 -3.16548030e-27] [ 8.49034457e-64 1.50358071e-10 3.16548030e-27] [-2.36672979e-10 8.72785262e-64 -6.58102381e-49] [ 2.36672979e-10 -8.72785262e-64 6.58102381e-49] [-2.36672979e-10 1.14768201e-48 6.44820011e-32] [ 2.36672979e-10 -8.72785262e-64 6.58102381e-49] [-2.36672979e-10 5.73841004e-49 3.22410005e-32] [ 2.36672979e-10 -8.72785262e-64 6.58102381e-49] [-2.36672979e-10 1.14768201e-48 6.44820011e-32] [ 2.36672979e-10 -8.72785262e-64 6.58102381e-49]] stress = [-7.33528459e-11 2.86755022e-10 1.23421866e-11 -1.41911960e-25 -1.49026395e-36 2.31599105e-53] energy per atom = -4.131560086613583 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0