# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.657966 1.473775 0.000000 11.011890 1.132777 26.745823 2 2.552653 1.473775 0.000000 11.023429 1.126779 27.441422 3 5.105313 1.473775 0.000000 11.043302 1.117052 27.567691 4 8.934296 3.684444 0.000000 11.031946 1.125871 27.228483 5 3.828983 3.684444 0.000000 11.014958 1.117052 27.457112 6 6.381643 3.684444 0.000000 11.021246 1.127926 26.952037 7 10.210623 5.895106 0.000000 11.012302 1.117964 26.754042 8 5.105309 5.895106 0.000000 11.037249 1.132777 26.957267 9 7.657970 5.895106 0.000000 11.023402 1.125871 27.271818 10 0.000000 0.000000 2.084231 10.960446 1.117998 11.638397 11 2.552653 0.000000 2.084231 10.995062 1.103330 11.787827 12 5.105313 0.000000 2.084231 10.978244 1.103420 11.709376 13 1.276326 2.210662 2.084231 10.979067 1.103330 11.712365 14 3.828979 2.210662 2.084231 10.956077 1.104338 11.577877 15 6.381640 2.210662 2.084231 10.993198 1.117087 11.779608 16 2.552657 4.421331 2.084231 10.997028 1.103420 11.799034 17 5.105309 4.421331 2.084231 10.975834 1.117087 11.693686 18 7.657970 4.421331 2.084231 10.952516 1.102872 11.608510 19 1.275044 0.740621 4.172021 10.989194 1.120044 11.725813 20 3.828412 0.738214 4.157419 11.018483 1.111041 11.828921 21 6.383374 0.740489 4.173180 10.990593 1.119054 11.734032 22 2.552067 2.952941 4.157358 10.991989 1.112459 11.708629 23 5.106795 2.953671 4.157297 10.986200 1.105857 11.679490 24 7.657238 2.950587 4.176577 11.012311 1.115924 11.844611 25 3.829029 5.163484 4.172875 11.018331 1.107353 11.855071 26 6.381609 5.162297 4.175967 10.986632 1.118545 11.722078 27 8.934656 5.163325 4.176129 10.987129 1.112746 11.727308 28 7.658207 1.486196 6.264875 10.956008 1.094147 11.615235 29 2.557232 1.487025 6.243318 11.001315 1.118423 11.780356 30 5.098256 1.488067 6.242667 11.018888 1.110680 11.858807 31 8.941096 3.689776 6.256720 10.991996 1.116931 11.789321 32 3.828443 3.687249 6.244355 10.978326 1.112374 11.670524 33 6.373273 3.690054 6.258062 10.972100 1.109117 11.689203 34 10.208107 5.904225 6.263187 10.968767 1.099607 11.677249 35 5.106692 5.904901 6.263391 10.991630 1.096964 11.784839 36 7.657013 5.914299 6.258245 10.955293 1.115554 11.616729 37 7.659241 0.009291 8.335419 11.010041 1.119297 26.695016 38 6.383420 6.641410 8.343229 11.008868 1.142781 24.326543 39 8.936318 6.639978 8.339670 10.990619 1.122953 24.350452 40 8.935169 2.220683 8.343371 10.985940 1.134331 24.186078 41 3.831009 2.221764 8.334769 11.027987 0.987531 14.852647 42 6.386296 2.220517 8.339975 11.017627 1.125137 24.687417 43 10.210653 4.432658 8.338958 11.013053 1.124180 24.588046 44 5.108916 4.432817 8.339650 10.983638 1.125240 24.257805 45 7.659727 4.430742 8.329725 11.003014 1.133262 26.517194 46 3.791677 2.194281 9.850603 1.132860 0.437700 32.173140 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0040 VACUUM VOLUME: 225.2389 NUMBER OF ELECTRONS: 496.0000