LAMMPS data file. CGCMM style. atom_style charge generated by VMD/TopoTools v1.3 on Fri Aug 24 17:10:20 +0200 2012 102 atoms 0 bonds 0 angles 0 dihedrals 0 impropers 4 atom types 0 bond types 0 angle types 0 dihedral types 0 improper types -54.612560 45.387440 xlo xhi -47.879996 52.120004 ylo yhi -40.576799 59.423201 zlo zhi # Pair Coeffs # # 1 C # 2 H # 3 O # 4 Si Masses 1 12.000000 # C 2 1.000000 # H 3 16.000000 # O 4 28.000000 # Si Atoms 1 4 0.000000 -0.637886 0.553288 -0.183695 # Si 2 1 0.000000 -0.600714 2.369272 -0.648393 # C 3 1 0.000000 -2.392134 -0.107249 -0.223331 # C 4 3 0.000000 0.248119 -0.271508 -1.283296 # O 5 2 0.000000 0.439526 2.758433 -0.590174 # H 6 2 0.000000 -0.977302 2.505258 -1.685730 # H 7 2 0.000000 -1.241965 2.958313 0.043232 # H 8 2 0.000000 -2.823555 0.014571 -1.241173 # H 9 2 0.000000 -2.401590 -1.186807 0.043445 # H 10 2 0.000000 -3.027400 0.446758 0.502263 # H 11 2 0.000000 0.220950 -1.216099 -1.235679 # H 12 4 0.000000 -0.301253 0.657013 2.914561 # Si 13 1 0.000000 1.323265 0.418001 3.821214 # C 14 1 0.000000 -0.920141 2.414239 3.135944 # C 15 3 0.000000 -0.033094 0.381330 1.325099 # O 16 2 0.000000 1.673652 -0.631777 3.710906 # H 17 2 0.000000 2.095726 1.099781 3.403067 # H 18 2 0.000000 1.196502 0.641780 4.902960 # H 19 2 0.000000 -0.187805 3.133471 2.708448 # H 20 2 0.000000 -1.896721 2.545819 2.620297 # H 21 2 0.000000 -1.053980 2.640608 4.216419 # H 22 4 0.000000 -2.434419 -0.579982 4.799013 # Si 23 1 0.000000 -3.055042 -2.349002 4.765575 # C 24 1 0.000000 -1.516451 -0.240201 6.400136 # C 25 3 0.000000 -1.405186 -0.372468 3.544370 # O 26 2 0.000000 -3.613364 -2.541966 3.823264 # H 27 2 0.000000 -2.197481 -3.054239 4.825907 # H 28 2 0.000000 -3.732328 -2.534368 5.627963 # H 29 2 0.000000 -0.635779 -0.913662 6.485910 # H 30 2 0.000000 -1.165396 0.814814 6.426138 # H 31 2 0.000000 -2.185487 -0.414909 7.271103 # H 32 4 0.000000 -4.876257 1.168543 5.590601 # Si 33 1 0.000000 -6.119526 1.933463 4.413996 # C 34 1 0.000000 -5.710585 -0.103858 6.689203 # C 35 3 0.000000 -3.720673 0.425107 4.703821 # O 36 2 0.000000 -5.623359 2.696857 3.775247 # H 37 2 0.000000 -6.558212 1.148364 3.760045 # H 38 2 0.000000 -6.938413 2.422049 4.986228 # H 39 2 0.000000 -6.141791 -0.920139 6.069323 # H 40 2 0.000000 -4.974635 -0.542685 7.398250 # H 41 2 0.000000 -6.529113 0.370914 7.273408 # H 42 4 0.000000 -4.480931 3.189874 7.915867 # Si 43 1 0.000000 -3.250414 4.603860 7.961966 # C 44 1 0.000000 -6.237810 3.849188 7.944734 # C 45 3 0.000000 -4.252439 2.353592 6.529253 # O 46 2 0.000000 -2.211127 4.207915 7.959194 # H 47 2 0.000000 -3.387945 5.257700 7.073141 # H 48 2 0.000000 -3.399795 5.212190 8.880842 # H 49 2 0.000000 -6.419201 4.491547 7.055383 # H 50 2 0.000000 -6.965404 3.008177 7.933844 # H 51 2 0.000000 -6.406249 4.454462 8.862297 # H 52 4 0.000000 -4.655508 2.049014 10.801752 # Si 53 1 0.000000 -3.553757 0.719980 11.533476 # C 54 1 0.000000 -4.413577 3.674594 11.707756 # C 55 3 0.000000 -4.241630 2.250621 9.232778 # O 56 2 0.000000 -3.712542 -0.244382 11.002654 # H 57 2 0.000000 -2.485836 1.013208 11.433436 # H 58 2 0.000000 -3.787014 0.578391 12.611591 # H 59 2 0.000000 -3.357856 4.010835 11.613406 # H 60 2 0.000000 -5.078445 4.456835 11.280054 # H 61 2 0.000000 -4.654248 3.553207 12.786712 # H 62 4 0.000000 -7.499433 1.590547 11.967396 # Si 63 1 0.000000 -8.828158 0.487686 11.236577 # C 64 1 0.000000 -6.962465 0.946674 13.646035 # C 65 3 0.000000 -6.212748 1.576765 10.958313 # O 66 2 0.000000 -9.152547 0.881833 10.248481 # H 67 2 0.000000 -8.434198 -0.543114 11.099817 # H 68 2 0.000000 -9.709535 0.447198 11.913543 # H 69 2 0.000000 -6.543728 -0.078424 13.544927 # H 70 2 0.000000 -6.184249 1.610699 14.082295 # H 71 2 0.000000 -7.830728 0.910862 14.340090 # H 72 4 0.000000 -8.971393 4.067950 13.137184 # Si 73 1 0.000000 -9.337690 5.660611 12.217327 # C 74 1 0.000000 -10.566643 3.198165 13.604494 # C 75 3 0.000000 -8.108088 3.097233 12.144151 # O 76 2 0.000000 -8.389069 6.182152 11.962399 # H 77 2 0.000000 -9.889459 5.440297 11.277316 # H 78 2 0.000000 -9.959481 6.334112 12.846806 # H 79 2 0.000000 -11.146035 2.947062 12.689246 # H 80 2 0.000000 -10.344875 2.259505 14.158225 # H 81 2 0.000000 -11.188002 3.855661 14.251433 # H 82 4 0.000000 -8.298202 4.982035 16.031506 # Si 83 1 0.000000 -6.585025 5.369963 16.687792 # C 84 1 0.000000 -9.352296 6.534449 16.009609 # C 85 3 0.000000 -8.144209 4.426395 14.501434 # O 86 2 0.000000 -5.959366 4.450546 16.692713 # H 87 2 0.000000 -6.094302 6.133871 16.045527 # H 88 2 0.000000 -6.652200 5.764457 17.725374 # H 89 2 0.000000 -8.898245 7.294247 15.336450 # H 90 2 0.000000 -10.376653 6.298934 15.646143 # H 91 2 0.000000 -9.426525 6.964353 17.032465 # H 92 4 0.000000 -9.937189 3.672983 18.334440 # Si 93 1 0.000000 -9.950050 1.855193 18.798452 # C 94 1 0.000000 -9.266340 4.707576 19.749138 # C 95 3 0.000000 -8.997826 3.873940 17.010672 # O 96 2 0.000000 -10.341092 1.246659 17.953785 # H 97 2 0.000000 -8.919363 1.514117 19.039902 # H 98 2 0.000000 -10.598333 1.693708 19.687424 # H 99 2 0.000000 -8.230352 4.389670 19.998844 # H 100 2 0.000000 -9.253827 5.783115 19.466970 # H 101 2 0.000000 -9.906714 4.582612 20.649698 # H 102 2 0.000000 -11.320846 4.108342 18.024406 # H