Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/tools/msi2lmp/test/pmma-poly-class2c.car
f5cf3008dd79lammm-devel

Last Change
Raw File

pmma-poly-class2c.car
View Options

!BIOSYM archive 3
PBC=OFF
Materials Studio Generated CAR File
!DATE Sun Jan 03 19:12:49 2016
C1 -0.633418 3.634698 -0.520447 C5H9 1 c C 0.000
C2 -1.681078 4.738564 -0.675925 C5H9 1 c3 C -0.159
C3 -1.387493 2.511538 0.201451 C5H9 1 c_1 C 0.266
O1 -0.833117 2.333802 1.415262 C5H9 1 o_2 O -0.266
C4 -1.417542 1.295223 2.194265 C5H9 1 c3 C -0.026
H1 -2.476360 1.527665 2.374308 C5H9 1 hc H 0.053
H2 -2.531181 4.392408 -1.284049 C5H9 1 hc H 0.053
H3 -0.886560 1.228488 3.153585 C5H9 1 hc H 0.053
H4 -1.228588 5.610202 -1.173631 C5H9 1 hc H 0.053
H5 -2.070284 5.062610 0.301509 C5H9 1 hc H 0.053
H6 -1.325591 0.341689 1.655498 C5H9 1 hc H 0.053
C5 0.512831 4.150735 0.351569 C5H9 1 c3 C -0.159
H7 1.055972 4.940079 -0.192088 C5H9 1 hc H 0.053
H8 1.238964 3.371721 0.627844 C5H9 1 hc H 0.053
H9 0.117814 4.600272 1.276936 C5H9 1 hc H 0.053
O2 -2.322596 1.880616 -0.204263 C5H9 1 o_1 O -0.133
C1 0.804693 2.145964 -2.336744 C5H8 2 c C 0.000
C2 -0.294421 3.170838 -1.953678 C5H8 2 c2 C -0.106
C3 2.138571 2.832879 -2.103460 C5H8 2 c_1 C 0.266
O1 2.372145 3.671394 -3.131947 C5H8 2 o_2 O -0.266
C4 3.602748 4.383361 -3.054350 C5H8 2 c3 C -0.026
H1 3.610506 4.998838 -2.143924 C5H8 2 hc H 0.053
H2 3.694800 5.030836 -3.937109 C5H8 2 hc H 0.053
H3 -1.235915 2.773341 -2.374311 C5H8 2 hc H 0.053
H4 -0.081285 4.091302 -2.526023 C5H8 2 hc H 0.053
H5 4.436044 3.667105 -3.035015 C5H8 2 hc H 0.053
C5 0.611666 1.991584 -3.851496 C5H8 2 c3 C -0.159
H6 -0.289273 1.387825 -4.043900 C5H8 2 hc H 0.053
H7 1.463121 1.506181 -4.351096 C5H8 2 hc H 0.053
H8 0.447238 2.968089 -4.333583 C5H8 2 hc H 0.053
O2 2.890594 2.696257 -1.179564 C5H8 2 o_1 O -0.133
C1 1.397177 -0.496953 -1.800162 C5H8 3 c C 0.000
C2 0.691539 0.852868 -1.495129 C5H8 3 c2 C -0.106
C3 0.695638 -1.078791 -3.017470 C5H8 3 c_1 C 0.266
O1 -0.433002 -1.685271 -2.599657 C5H8 3 o_2 O -0.266
C4 -1.200644 -2.295669 -3.631502 C5H8 3 c3 C -0.026
H1 -1.507749 -1.530598 -4.358027 C5H8 3 hc H 0.053
H2 -2.091554 -2.757962 -3.184979 C5H8 3 hc H 0.053
H3 0.980971 1.115979 -0.462722 C5H8 3 hc H 0.053
H4 -0.384900 0.614574 -1.458910 C5H8 3 hc H 0.053
H5 -0.594468 -3.067094 -4.126610 C5H8 3 hc H 0.053
C5 1.017164 -1.351769 -0.581861 C5H8 3 c3 C -0.159
H6 1.624485 -1.039640 0.282512 C5H8 3 hc H 0.053
H7 1.174800 -2.428888 -0.737066 C5H8 3 hc H 0.053
H8 -0.036762 -1.199383 -0.300261 C5H8 3 hc H 0.053
O2 1.027390 -1.028862 -4.168218 C5H8 3 o_1 O -0.133
C1 3.966949 -1.439368 -2.191285 C5H8 4 c C 0.000
C2 2.913413 -0.313606 -2.028563 C5H8 4 c2 C -0.106
C3 3.989592 -2.240375 -0.907672 C5H8 4 c_1 C 0.266
O1 4.599493 -1.508560 0.045550 C5H8 4 o_2 O -0.266
C4 4.686298 -2.139943 1.318815 C5H8 4 c3 C -0.026
H1 3.673589 -2.349798 1.690021 C5H8 4 hc H 0.053
H2 5.200688 -1.464754 2.016189 C5H8 4 hc H 0.053
H3 3.037439 0.331225 -2.915449 C5H8 4 hc H 0.053
H4 3.252029 0.280214 -1.163342 C5H8 4 hc H 0.053
H5 5.255838 -3.074913 1.223300 C5H8 4 hc H 0.053
C5 5.282529 -0.651603 -2.269945 C5H8 4 c3 C -0.159
H6 5.346025 -0.148371 -3.247479 C5H8 4 hc H 0.053
H7 6.171959 -1.287625 -2.151011 C5H8 4 hc H 0.053
H8 5.331038 0.138310 -1.504257 C5H8 4 hc H 0.053
O2 3.545053 -3.337606 -0.715715 C5H8 4 o_1 O -0.133
C1 4.620833 -3.326693 -4.109533 C5H8 5 c C 0.000
C2 3.652503 -2.337506 -3.407769 C5H8 5 c2 C -0.106
C3 5.653604 -2.472614 -4.831647 C5H8 5 c_1 C 0.266
O1 5.111475 -2.022075 -5.980401 C5H8 5 o_2 O -0.266
C4 5.971771 -1.203306 -6.765481 C5H8 5 c3 C -0.026
H1 6.260026 -0.316003 -6.184475 C5H8 5 hc H 0.053
H2 5.435290 -0.890960 -7.671954 C5H8 5 hc H 0.053
H3 2.753672 -2.924820 -3.151292 C5H8 5 hc H 0.053
H4 3.352208 -1.638604 -4.206128 C5H8 5 hc H 0.053
H5 6.864808 -1.779197 -7.046079 C5H8 5 hc H 0.053
C5 3.708002 -3.959156 -5.169887 C5H8 5 c3 C -0.159
H6 3.031714 -4.679313 -4.682555 C5H8 5 hc H 0.053
H7 4.256861 -4.488719 -5.962328 C5H8 5 hc H 0.053
H8 3.068976 -3.201001 -5.649870 C5H8 5 hc H 0.053
O2 6.768331 -2.204430 -4.480250 C5H8 5 o_1 O -0.133
C1 6.093263 -5.587913 -3.560636 C5H8 6 c C 0.000
C2 5.308751 -4.312834 -3.138300 C5H8 6 c2 C -0.106
C3 5.049508 -6.603485 -4.003777 C5H8 6 c_1 C 0.266
O1 4.554427 -7.203560 -2.902940 C5H8 6 o_2 O -0.266
C4 3.562981 -8.192962 -3.156902 C5H8 6 c3 C -0.026
H1 2.705493 -7.727344 -3.662190 C5H8 6 hc H 0.053
H2 3.237173 -8.622824 -2.199861 C5H8 6 hc H 0.053
H3 5.995489 -3.722546 -2.507421 C5H8 6 hc H 0.053
H4 4.514555 -4.679531 -2.467788 C5H8 6 hc H 0.053
H5 3.991532 -8.983665 -3.788604 C5H8 6 hc H 0.053
C5 6.684506 -6.073042 -2.229026 C5H8 6 c3 C -0.159
H6 7.545290 -5.439783 -1.961956 C5H8 6 hc H 0.053
H7 7.027618 -7.117413 -2.257204 C5H8 6 hc H 0.053
H8 5.953601 -5.976673 -1.410522 C5H8 6 hc H 0.053
O2 4.679701 -6.860981 -5.114546 C5H8 6 o_1 O -0.133
C1 8.191866 -6.276687 -5.226719 C5H8 7 c C 0.000
C2 7.125233 -5.298659 -4.672132 C5H8 7 c2 C -0.106
C3 9.135855 -6.617834 -4.092568 C5H8 7 c_1 C 0.266
O1 9.934906 -5.557047 -3.864645 C5H8 7 o_2 O -0.266
C4 10.892382 -5.742399 -2.827400 C5H8 7 c3 C -0.026
H1 11.553396 -6.580327 -3.089232 C5H8 7 hc H 0.053
H2 10.370519 -5.952330 -1.883435 C5H8 7 hc H 0.053
H3 6.567923 -4.948063 -5.557544 C5H8 7 hc H 0.053
H4 7.696444 -4.433111 -4.298730 C5H8 7 hc H 0.053
H5 11.485685 -4.823608 -2.723420 C5H8 7 hc H 0.053
C5 8.957459 -5.391017 -6.221052 C5H8 7 c3 C -0.159
H6 8.333050 -5.226114 -7.113266 C5H8 7 hc H 0.053
H7 9.910684 -5.832380 -6.545212 C5H8 7 hc H 0.053
H8 9.175643 -4.397358 -5.799012 C5H8 7 hc H 0.053
O2 9.199344 -7.640210 -3.468747 C5H8 7 o_1 O -0.133
C1 8.262760 -8.564497 -6.769855 C5H8 8 c C 0.000
C2 7.556560 -7.548515 -5.830486 C5H8 8 c2 C -0.106
C3 8.456504 -7.871008 -8.103271 C5H8 8 c_1 C 0.266
O1 7.266992 -7.835138 -8.736810 C5H8 8 o_2 O -0.266
C4 7.283962 -7.192355 -10.006775 C5H8 8 c3 C -0.026
H1 6.270957 -7.218684 -10.431104 C5H8 8 hc H 0.053
H2 7.976685 -7.723474 -10.674386 C5H8 8 hc H 0.053
H3 7.154862 -8.142299 -4.991093 C5H8 8 hc H 0.053
H4 6.685583 -7.189461 -6.402577 C5H8 8 hc H 0.053
H5 7.603477 -6.148355 -9.881849 C5H8 8 hc H 0.053
C5 7.166774 -9.625239 -6.960353 C5H8 8 c3 C -0.159
H6 7.098119 -10.241527 -6.050359 C5H8 8 hc H 0.053
H7 7.344500 -10.294304 -7.814393 C5H8 8 hc H 0.053
H8 6.177875 -9.159550 -7.097847 C5H8 8 hc H 0.053
O2 9.457828 -7.401923 -8.564177 C5H8 8 o_1 O -0.133
C1 10.528174 -10.165533 -6.728540 C5H8 9 c C 0.000
C2 9.586302 -9.079899 -6.157574 C5H8 9 c2 C -0.106
C3 9.693571 -11.386060 -7.060668 C5H8 9 c_1 C 0.266
O1 9.222904 -11.936493 -5.924360 C5H8 9 o_2 O -0.266
C4 8.442799 -13.113503 -6.108579 C5H8 9 c3 C -0.026
H1 8.109656 -13.475726 -5.126573 C5H8 9 hc H 0.053
H2 9.056854 -13.883047 -6.596524 C5H8 9 hc H 0.053
H3 10.218024 -8.201376 -5.957354 C5H8 9 hc H 0.053
H4 9.284047 -9.466335 -5.169165 C5H8 9 hc H 0.053
H5 7.568042 -12.877858 -6.730325 C5H8 9 hc H 0.053
C5 11.397504 -10.560489 -5.522103 C5H8 9 c3 C -0.159
H6 12.053299 -9.720169 -5.250118 C5H8 9 hc H 0.053
H7 12.029275 -11.435398 -5.737741 C5H8 9 hc H 0.053
H8 10.802796 -10.790915 -4.624592 C5H8 9 hc H 0.053
O2 9.465161 -11.823378 -8.154997 C5H8 9 o_1 O -0.133
H1 12.889411 -8.809349 -9.008053 C5H9 10 hc H 0.053
C1 12.617346 -8.953444 -7.946761 C5H9 10 c1 C -0.053
C2 11.358317 -9.861743 -7.993068 C5H9 10 c2 C -0.106
C3 13.813210 -9.651723 -7.309744 C5H9 10 c_1 C 0.266
O1 13.878794 -10.934779 -7.716185 C5H9 10 o_2 O -0.266
C4 14.959498 -11.682905 -7.168796 C5H9 10 c3 C -0.026
H2 14.919297 -12.707115 -7.564129 C5H9 10 hc H 0.053
H3 14.866795 -11.707441 -6.074044 C5H9 10 hc H 0.053
H4 11.681983 -10.834435 -8.402314 C5H9 10 hc H 0.053
H5 10.693673 -9.457714 -8.772422 C5H9 10 hc H 0.053
H6 15.910415 -11.213947 -7.457781 C5H9 10 hc H 0.053
C5 12.527455 -7.566814 -7.315882 C5H9 10 c3 C -0.159
H7 11.733374 -6.969615 -7.782074 C5H9 10 hc H 0.053
H8 13.478407 -7.035564 -7.479820 C5H9 10 hc H 0.053
H9 12.347673 -7.613591 -6.232621 C5H9 10 hc H 0.053
O2 14.596719 -9.153044 -6.549874 C5H9 10 o_1 O -0.133
end
end
c4science · Help