# LAMMPS data file written by python 200 atoms 2 atom types 199 bonds 1 bond types -163.9664 163.9664 xlo xhi -163.9664 163.9664 ylo yhi -163.9664 163.9664 zlo zhi Masses 1 72 # E 2 72 # C Atoms # full 1 1 1 0.0 0.000000 0.000000 0.000000 2 1 2 0.0 -0.539861 -1.040393 -4.344667 3 1 2 0.0 -5.032135 -0.936173 -4.102570 4 1 2 0.0 -3.054286 -4.923037 -3.436965 5 1 2 0.0 1.095997 -5.765676 -4.958515 6 1 2 0.0 2.020632 -4.240566 -9.089990 7 1 2 0.0 6.411115 -5.056026 -9.645580 8 1 2 0.0 7.990483 -8.982866 -8.117337 9 1 2 0.0 5.342472 -12.462094 -7.052909 10 1 2 0.0 6.981022 -14.049436 -10.931762 11 1 2 0.0 6.346386 -9.915182 -12.591636 12 1 2 0.0 2.895935 -7.028992 -12.711202 13 1 2 0.0 6.951327 -8.979010 -12.746302 14 1 2 0.0 9.394931 -9.304336 -8.981603 15 1 2 0.0 13.787698 -10.012763 -8.309493 16 1 2 0.0 15.652248 -5.993094 -7.524820 17 1 2 0.0 18.780674 -6.541274 -4.336960 18 1 2 0.0 22.405044 -4.439718 -5.979337 19 1 2 0.0 23.172348 -3.666200 -1.613227 20 1 2 0.0 26.970756 -5.372186 -3.319601 21 1 2 0.0 28.511816 -2.386559 -0.326080 22 1 2 0.0 30.082303 1.376615 1.577099 23 1 2 0.0 30.552142 4.138278 -1.944615 24 1 2 0.0 34.897666 4.275979 -3.105415 25 1 2 0.0 34.439293 0.109231 -4.741906 26 1 2 0.0 38.448297 2.153218 -4.740293 27 1 2 0.0 39.129366 4.700675 -1.093842 28 1 2 0.0 39.268152 3.597055 -5.454204 29 1 2 0.0 42.463653 5.475485 -8.005729 30 1 2 0.0 39.700124 8.286843 -10.175791 31 1 2 0.0 38.575631 12.232123 -12.025192 32 1 2 0.0 38.612715 15.852297 -14.697824 33 1 2 0.0 38.746138 19.677091 -17.064921 34 1 2 0.0 41.406038 22.186944 -19.687053 35 1 2 0.0 45.876624 22.666142 -19.872046 36 1 2 0.0 48.101871 19.400728 -17.719061 37 1 2 0.0 50.544923 17.254902 -14.608284 38 1 2 0.0 46.070600 17.627724 -14.910671 39 1 2 0.0 49.648423 14.911013 -15.172710 40 1 2 0.0 46.065976 16.748044 -17.183031 41 1 2 0.0 41.572494 16.509322 -17.142656 42 1 2 0.0 37.091155 16.426064 -16.741818 43 1 2 0.0 36.610712 16.735958 -12.278284 44 1 2 0.0 34.827627 15.974669 -16.339201 45 1 2 0.0 39.318654 16.195871 -16.517367 46 1 2 0.0 41.713103 13.808049 -13.548373 47 1 2 0.0 45.842010 12.020476 -13.466464 48 1 2 0.0 42.280942 9.465891 -14.487686 49 1 2 0.0 41.427465 12.286094 -17.888867 50 1 2 0.0 37.124479 13.473979 -18.457411 51 1 2 0.0 36.534325 17.574789 -16.700972 52 1 2 0.0 35.456284 20.031426 -20.313833 53 1 2 0.0 38.666842 22.484374 -22.295086 54 1 2 0.0 36.776085 26.230625 -23.920090 55 1 2 0.0 32.980359 25.856842 -26.308134 56 1 2 0.0 36.380213 28.071911 -28.253501 57 1 2 0.0 36.316969 23.621805 -27.588253 58 1 2 0.0 37.859870 19.446232 -28.247074 59 1 2 0.0 33.416706 20.129262 -28.451447 60 1 2 0.0 31.607219 23.578707 -26.198207 61 1 2 0.0 28.561663 24.921370 -29.226712 62 1 2 0.0 27.241894 27.744834 -25.980751 63 1 2 0.0 30.809131 30.463338 -26.347574 64 1 2 0.0 26.311653 30.348243 -26.444765 65 1 2 0.0 30.743180 30.620576 -27.177846 66 1 2 0.0 34.609206 31.133479 -24.932681 67 1 2 0.0 39.087206 30.828988 -25.256405 68 1 2 0.0 42.686539 28.344394 -24.197351 69 1 2 0.0 42.587377 25.722359 -27.853182 70 1 2 0.0 40.473697 27.923510 -24.546024 71 1 2 0.0 44.544930 29.266399 -25.914128 72 1 2 0.0 48.558441 28.570697 -27.826647 73 1 2 0.0 52.565722 30.279600 -28.954190 74 1 2 0.0 56.740578 29.004925 -27.860672 75 1 2 0.0 54.526709 32.859325 -27.158970 76 1 2 0.0 50.103032 32.463451 -27.883101 77 1 2 0.0 50.231288 33.161632 -32.326759 78 1 2 0.0 47.365980 31.404539 -35.318854 79 1 2 0.0 51.617741 32.131194 -36.601236 80 1 2 0.0 52.899258 32.330135 -40.910312 81 1 2 0.0 57.347095 32.230412 -40.234439 82 1 2 0.0 57.144406 35.887907 -37.620697 83 1 2 0.0 61.235954 36.634049 -39.338983 84 1 2 0.0 59.868549 32.347836 -39.431635 85 1 2 0.0 55.485116 31.332205 -39.494986 86 1 2 0.0 59.644250 33.013614 -39.142188 87 1 2 0.0 55.833973 31.940329 -41.282246 88 1 2 0.0 59.225624 34.678040 -42.401015 89 1 2 0.0 54.731728 34.718118 -42.631864 90 1 2 0.0 58.021887 31.917880 -43.890242 91 1 2 0.0 56.298357 33.841725 -40.205372 92 1 2 0.0 54.024767 35.985653 -36.967417 93 1 2 0.0 55.569472 31.763187 -36.781232 94 1 2 0.0 58.696604 30.248529 -33.921711 95 1 2 0.0 62.627179 31.638281 -35.615573 96 1 2 0.0 61.087327 32.652644 -31.510707 97 1 2 0.0 57.278591 30.256100 -31.521087 98 1 2 0.0 58.903371 27.467170 -34.656682 99 1 2 0.0 61.898398 25.190750 -37.126039 100 1 2 0.0 64.532762 24.824751 -33.496140 101 1 2 0.0 67.182018 21.267382 -32.736820 102 1 2 0.0 69.059989 18.946860 -29.369565 103 1 2 0.0 67.151703 17.454762 -33.161937 104 1 2 0.0 64.801286 15.379313 -36.389638 105 1 2 0.0 68.102352 16.430379 -33.517667 106 1 2 0.0 72.223913 18.226047 -33.713399 107 1 2 0.0 67.775139 18.180017 -33.037908 108 1 2 0.0 67.558064 20.028706 -28.940930 109 1 2 0.0 71.834615 18.895908 -28.117594 110 1 2 0.0 75.914137 18.543809 -29.984014 111 1 2 0.0 80.361674 18.734285 -30.642140 112 1 2 0.0 75.871110 18.785456 -30.928870 113 1 2 0.0 71.371143 18.796757 -30.941810 114 1 2 0.0 75.765845 19.126596 -30.031973 115 1 2 0.0 74.319594 15.848021 -27.309970 116 1 2 0.0 70.412191 13.700030 -26.703059 117 1 2 0.0 73.309047 13.835712 -30.143963 118 1 2 0.0 68.942376 13.640855 -29.074282 119 1 2 0.0 73.360786 13.025408 -29.664946 120 1 2 0.0 70.127041 12.235138 -26.637015 121 1 2 0.0 73.707325 10.499865 -28.739488 122 1 2 0.0 78.204818 10.445115 -28.599642 123 1 2 0.0 74.415978 9.452570 -30.815393 124 1 2 0.0 70.455625 11.450247 -31.573607 125 1 2 0.0 67.491395 8.148221 -30.825296 126 1 2 0.0 67.259586 11.595928 -33.707931 127 1 2 0.0 69.228186 12.006264 -37.733628 128 1 2 0.0 67.309125 11.052514 -41.690592 129 1 2 0.0 65.501484 7.503205 -39.596589 130 1 2 0.0 67.307334 11.559152 -40.330212 131 1 2 0.0 71.793251 11.556244 -40.685942 132 1 2 0.0 70.405906 7.730287 -42.606182 133 1 2 0.0 68.111198 5.098287 -45.444649 134 1 2 0.0 69.307326 0.949916 -44.175673 135 1 2 0.0 72.550023 -0.304857 -41.319020 136 1 2 0.0 68.679881 -2.295990 -42.462432 137 1 2 0.0 72.369936 -3.997172 -44.396202 138 1 2 0.0 69.901628 -5.027256 -48.015094 139 1 2 0.0 73.985016 -3.482363 -49.105621 140 1 2 0.0 78.368572 -4.149017 -49.873740 141 1 2 0.0 74.673350 -3.352804 -52.315334 142 1 2 0.0 73.263698 -5.433832 -48.582747 143 1 2 0.0 70.746377 -8.830984 -50.123023 144 1 2 0.0 74.129717 -11.034311 -52.110072 145 1 2 0.0 78.368180 -12.078532 -51.016897 146 1 2 0.0 81.983177 -9.687248 -49.807119 147 1 2 0.0 77.615010 -8.660236 -50.145305 148 1 2 0.0 78.872906 -8.051771 -54.422859 149 1 2 0.0 74.969855 -10.144816 -55.219950 150 1 2 0.0 70.968682 -10.674019 -53.229835 151 1 2 0.0 70.344683 -6.443266 -54.630318 152 1 2 0.0 73.267086 -5.918769 -51.248830 153 1 2 0.0 73.516081 -10.305985 -50.279119 154 1 2 0.0 77.071858 -8.841824 -47.941881 155 1 2 0.0 74.971198 -5.487256 -45.800829 156 1 2 0.0 79.335039 -5.282940 -46.880248 157 1 2 0.0 78.706678 -0.861590 -46.326336 158 1 2 0.0 75.697647 2.156539 -47.770854 159 1 2 0.0 79.644992 2.671741 -45.672512 160 1 2 0.0 75.147301 2.773953 -45.774163 161 1 2 0.0 79.644429 2.626183 -45.710860 162 1 2 0.0 75.211853 1.877269 -45.914321 163 1 2 0.0 78.273261 4.827769 -47.388205 164 1 2 0.0 74.331397 4.636351 -45.226013 165 1 2 0.0 70.023731 4.191299 -46.449098 166 1 2 0.0 73.866536 5.747698 -48.198517 167 1 2 0.0 77.137083 3.039718 -46.708429 168 1 2 0.0 81.581584 3.717117 -46.514667 169 1 2 0.0 77.373271 3.158734 -48.007420 170 1 2 0.0 77.544037 0.151136 -51.350352 171 1 2 0.0 76.896100 -2.109168 -55.187173 172 1 2 0.0 73.632456 -4.581936 -57.053733 173 1 2 0.0 75.226563 -8.771065 -57.453767 174 1 2 0.0 79.508866 -8.538733 -58.816815 175 1 2 0.0 76.307466 -5.493266 -57.964660 176 1 2 0.0 73.259753 -5.874811 -61.253409 177 1 2 0.0 75.751339 -6.252704 -64.981572 178 1 2 0.0 71.305624 -6.270458 -64.284933 179 1 2 0.0 75.156357 -4.827853 -66.112705 180 1 2 0.0 78.865774 -2.533587 -65.005198 181 1 2 0.0 76.818246 -1.590494 -61.110560 182 1 2 0.0 74.118318 -0.581364 -64.566287 183 1 2 0.0 69.751914 -1.103970 -63.611612 184 1 2 0.0 71.248001 1.522272 -66.945465 185 1 2 0.0 75.072862 -0.667043 -67.855051 186 1 2 0.0 71.451922 1.585218 -66.417652 187 1 2 0.0 71.918875 2.638425 -62.067628 188 1 2 0.0 72.657507 2.240633 -57.646521 189 1 2 0.0 72.525791 2.994494 -53.212071 190 1 2 0.0 70.893623 7.152461 -52.666779 191 1 2 0.0 66.561950 6.625882 -53.766475 192 1 2 0.0 66.600112 8.663111 -49.754214 193 1 2 0.0 68.350274 12.703805 -50.681430 194 1 2 0.0 63.856101 12.876666 -50.531330 195 1 2 0.0 66.793137 14.707767 -47.655414 196 1 2 0.0 62.336587 15.216079 -48.017062 197 1 2 0.0 65.133668 12.427342 -45.860841 198 1 2 0.0 69.419916 11.328969 -45.041298 199 1 2 0.0 68.102254 8.415447 -48.207551 200 1 1 0.0 69.753734 5.943524 -44.829355 Bonds 1 1 1 2 2 1 2 3 3 1 3 4 4 1 4 5 5 1 5 6 6 1 6 7 7 1 7 8 8 1 8 9 9 1 9 10 10 1 10 11 11 1 11 12 12 1 12 13 13 1 13 14 14 1 14 15 15 1 15 16 16 1 16 17 17 1 17 18 18 1 18 19 19 1 19 20 20 1 20 21 21 1 21 22 22 1 22 23 23 1 23 24 24 1 24 25 25 1 25 26 26 1 26 27 27 1 27 28 28 1 28 29 29 1 29 30 30 1 30 31 31 1 31 32 32 1 32 33 33 1 33 34 34 1 34 35 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