# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 10.996095 1.305160 36.198475 2 2.892064 1.669734 0.000000 11.042835 1.305161 36.934621 3 5.784136 1.669734 0.000000 10.998045 1.305158 35.987858 4 10.122236 4.174342 0.000000 10.999855 1.305156 35.771145 5 4.338100 4.174342 0.000000 11.020538 1.305158 36.319022 6 7.230172 4.174342 0.000000 11.058099 1.305155 36.589913 7 11.568268 6.678943 0.000000 11.037468 1.305158 36.927849 8 5.784132 6.678943 0.000000 11.017345 1.305160 36.549956 9 8.676204 6.678943 0.000000 10.995167 1.305156 35.713581 10 0.000000 0.000000 2.361358 10.976626 1.280316 17.191414 11 2.892064 0.000000 2.361358 11.000358 1.280315 17.239498 12 5.784136 0.000000 2.361358 10.962187 1.280318 17.020753 13 1.446032 2.504601 2.361358 10.983917 1.280315 17.112179 14 4.338096 2.504601 2.361358 11.026458 1.252916 17.254397 15 7.230168 2.504601 2.361358 10.972390 1.261625 17.018044 16 2.892068 5.009209 2.361358 10.984722 1.280318 17.164325 17 5.784132 5.009209 2.361358 10.962633 1.280316 16.978765 18 8.676204 5.009209 2.361358 10.949646 1.280319 16.868377 19 1.424706 0.775358 4.766401 10.978963 1.297030 17.370202 20 4.326699 0.792361 4.742790 11.003934 1.307015 17.309252 21 7.212542 0.769324 4.774980 10.977276 1.289488 17.402032 22 2.888285 3.281123 4.738437 11.002211 1.303780 17.274713 23 5.740386 3.272963 4.682035 11.005078 1.224295 17.182611 24 8.668201 3.277028 4.700242 11.009526 1.268543 17.240175 25 4.311859 5.791427 4.783150 10.998149 1.291556 17.551699 26 7.207935 5.802480 4.711136 10.995556 1.276257 17.168389 27 10.105834 5.790165 4.737021 11.003853 1.297839 17.387810 28 8.630181 1.530413 7.197972 11.032656 1.293287 24.860336 29 2.842045 1.556350 7.198508 10.984456 1.305792 28.960947 30 5.735393 1.554607 7.204342 11.027930 1.274202 23.451703 31 10.123030 4.013374 7.079572 11.043443 1.247767 19.497373 32 4.289925 4.057540 7.208030 11.018027 1.283310 23.494369 33 7.170302 4.056368 6.929282 11.011938 1.205025 16.571751 34 11.490161 6.547699 7.242943 11.039971 1.291660 26.224949 35 5.717637 6.577852 7.207365 11.038272 1.302325 25.216558 36 8.611888 6.636054 7.088965 11.035271 1.256266 19.514304 37 6.033143 3.377878 9.131880 10.960703 1.051776 55.545504 38 8.509903 3.400901 9.119678 10.950544 1.080094 47.668674 39 7.286546 5.515475 9.124975 10.936214 1.084690 47.801410 40 9.762157 5.537693 9.140994 10.956151 1.094400 56.016177 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0055 VACUUM VOLUME: 346.5060 NUMBER OF ELECTRONS: 440.0000