# LAMMPS data file written by python 100 atoms 2 atom types 99 bonds 1 bond types -77.3707 77.3707 xlo xhi -77.3707 77.3707 ylo yhi -77.3707 77.3707 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 -2.672793 0.006885 -3.620239 3 1 2 0.0 -0.273324 -3.524836 -5.041327 4 1 2 0.0 -4.679245 -4.365767 -5.402839 5 1 2 0.0 -2.402452 -8.162689 -6.208808 6 1 2 0.0 2.097469 -8.151533 -6.184592 7 1 2 0.0 -1.336829 -10.981153 -5.514631 8 1 2 0.0 0.301345 -6.825530 -6.059780 9 1 2 0.0 -3.387946 -4.657146 -4.667933 10 1 2 0.0 -0.858688 -2.663341 -7.810797 11 1 2 0.0 -5.283077 -3.476523 -7.927051 12 1 2 0.0 -6.725346 -7.044754 -10.258915 13 1 2 0.0 -7.383206 -3.589646 -13.065950 14 1 2 0.0 -7.239795 -5.781942 -16.993197 15 1 2 0.0 -3.579687 -3.310470 -17.856584 16 1 2 0.0 0.877897 -3.486854 -18.447204 17 1 2 0.0 5.125073 -4.886705 -18.949112 18 1 2 0.0 4.323984 -3.922027 -14.627347 19 1 2 0.0 -0.020750 -3.696033 -15.777224 20 1 2 0.0 -3.385758 -5.213389 -13.203442 21 1 2 0.0 -5.878219 -6.537978 -9.698716 22 1 2 0.0 -4.941247 -4.359120 -5.874496 23 1 2 0.0 -1.779429 -1.700691 -4.089653 24 1 2 0.0 -3.471188 1.793852 -6.364763 25 1 2 0.0 0.663534 2.663995 -4.816561 26 1 2 0.0 5.037409 1.678107 -5.200274 27 1 2 0.0 4.618949 -2.300621 -3.140028 28 1 2 0.0 8.268772 -0.136624 -4.638664 29 1 2 0.0 9.258557 -0.089855 -0.249115 30 1 2 0.0 13.086358 -1.811005 1.374334 31 1 2 0.0 10.434014 -2.432160 -2.207460 32 1 2 0.0 7.539074 0.948536 -1.543973 33 1 2 0.0 3.303118 -0.564276 -1.678428 34 1 2 0.0 7.666534 0.484588 -2.010820 35 1 2 0.0 4.472755 -1.606067 0.372233 36 1 2 0.0 8.601078 0.023193 -0.371047 37 1 2 0.0 10.511359 -3.218439 2.097281 38 1 2 0.0 10.446056 -7.338163 3.906592 39 1 2 0.0 11.264889 -10.997678 6.394053 40 1 2 0.0 14.789034 -13.580508 7.470800 41 1 2 0.0 11.369978 -11.136801 9.079634 42 1 2 0.0 15.824437 -11.528054 9.584327 43 1 2 0.0 19.296508 -14.358617 9.156976 44 1 2 0.0 22.514141 -15.544302 6.243046 45 1 2 0.0 20.093455 -18.986814 7.836594 46 1 2 0.0 19.455343 -20.672292 11.959940 47 1 2 0.0 20.544430 -25.029037 11.672423 48 1 2 0.0 16.718202 -26.827104 10.130692 49 1 2 0.0 21.144289 -26.555846 9.365072 50 1 2 0.0 22.278038 -28.407204 13.306783 51 1 2 0.0 19.311791 -25.492707 11.587165 52 1 2 0.0 16.245424 -22.975704 13.711333 53 1 2 0.0 11.750054 -22.963848 13.507596 54 1 2 0.0 15.021422 -20.198053 12.129724 55 1 2 0.0 10.937073 -18.384626 11.600973 56 1 2 0.0 6.566836 -19.339322 11.111502 57 1 2 0.0 10.347824 -21.580005 12.077664 58 1 2 0.0 12.107859 -21.932339 16.204181 59 1 2 0.0 8.775250 -23.738288 13.778842 60 1 2 0.0 12.744602 -25.521646 12.632595 61 1 2 0.0 9.831137 -25.161864 16.043209 62 1 2 0.0 5.347426 -24.859509 16.277545 63 1 2 0.0 0.850611 -24.706985 16.204129 64 1 2 0.0 5.335803 -24.344863 16.160345 65 1 2 0.0 8.168001 -22.903716 12.974164 66 1 2 0.0 5.217505 -21.383619 9.935433 67 1 2 0.0 6.593665 -25.339439 8.289933 68 1 2 0.0 7.131735 -27.547193 4.405824 69 1 2 0.0 3.331763 -27.993812 6.774524 70 1 2 0.0 1.325845 -24.112127 7.851007 71 1 2 0.0 0.722977 -28.523504 7.198086 72 1 2 0.0 4.305353 -26.465208 5.414830 73 1 2 0.0 8.198889 -26.612317 3.163446 74 1 2 0.0 11.205777 -24.079604 0.973929 75 1 2 0.0 13.542664 -27.635512 2.438333 76 1 2 0.0 17.628555 -26.154473 1.271277 77 1 2 0.0 21.534939 -27.177774 3.256980 78 1 2 0.0 17.822536 -26.207122 0.906257 79 1 2 0.0 18.761472 -26.368248 -3.491747 80 1 2 0.0 23.185319 -26.165922 -4.290897 81 1 2 0.0 27.508182 -26.541877 -3.098625 82 1 2 0.0 31.956873 -26.598984 -3.773817 83 1 2 0.0 32.664782 -23.195618 -6.631433 84 1 2 0.0 34.431108 -19.543343 -4.684388 85 1 2 0.0 38.685370 -18.448813 -5.660735 86 1 2 0.0 35.416976 -15.790179 -7.241642 87 1 2 0.0 31.648855 -16.091672 -9.683028 88 1 2 0.0 27.552668 -17.342031 -11.064277 89 1 2 0.0 23.655598 -19.444905 -10.263795 90 1 2 0.0 24.423316 -15.145607 -11.348528 91 1 2 0.0 20.433577 -13.983729 -13.075380 92 1 2 0.0 15.978536 -14.543362 -12.776342 93 1 2 0.0 16.168666 -10.047546 -12.814953 94 1 2 0.0 20.222276 -10.646177 -14.675030 95 1 2 0.0 17.805201 -12.734189 -11.505179 96 1 2 0.0 17.497548 -11.063298 -7.338229 97 1 2 0.0 19.491308 -7.804388 -4.960325 98 1 2 0.0 18.539778 -4.989129 -1.581138 99 1 2 0.0 19.781902 -1.096380 0.303972 100 1 1 0.0 22.319378 0.715098 3.548931 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 35 1 35 36 36 1 36 37 37 1 37 38 38 1 38 39 39 1 39 40 40 1 40 41 41 1 41 42 42 1 42 43 43 1 43 44 44 1 44 45 45 1 45 46 46 1 46 47 47 1 47 48 48 1 48 49 49 1 49 50 50 1 50 51 51 1 51 52 52 1 52 53 53 1 53 54 54 1 54 55 55 1 55 56 56 1 56 57 57 1 57 58 58 1 58 59 59 1 59 60 60 1 60 61 61 1 61 62 62 1 62 63 63 1 63 64 64 1 64 65 65 1 65 66 66 1 66 67 67 1 67 68 68 1 68 69 69 1 69 70 70 1 70 71 71 1 71 72 72 1 72 73 73 1 73 74 74 1 74 75 75 1 75 76 76 1 76 77 77 1 77 78 78 1 78 79 79 1 79 80 80 1 80 81 81 1 81 82 82 1 82 83 83 1 83 84 84 1 84 85 85 1 85 86 86 1 86 87 87 1 87 88 88 1 88 89 89 1 89 90 90 1 90 91 91 1 91 92 92 1 92 93 93 1 93 94 94 1 94 95 95 1 95 96 96 1 96 97 97 1 97 98 98 1 98 99 99 1 99 100