# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.012862 1.305160 36.366428 2 2.892064 1.669734 0.000000 11.041613 1.305161 36.830328 3 5.784136 1.669734 0.000000 11.005572 1.305158 36.113822 4 10.122236 4.174342 0.000000 10.991241 1.305156 35.647212 5 4.338100 4.174342 0.000000 11.001475 1.305158 35.977699 6 7.230172 4.174342 0.000000 11.053194 1.305155 36.403675 7 11.568268 6.678943 0.000000 11.053408 1.305158 37.055168 8 5.784132 6.678943 0.000000 10.992478 1.305160 36.136848 9 8.676204 6.678943 0.000000 11.012392 1.305156 35.979054 10 0.000000 0.000000 2.361358 10.991493 1.280316 17.274036 11 2.892064 0.000000 2.361358 11.005977 1.280315 17.272005 12 5.784136 0.000000 2.361358 10.977702 1.280318 17.122337 13 1.446032 2.504601 2.361358 10.983219 1.280315 17.106761 14 4.338096 2.504601 2.361358 11.026476 1.252916 17.253719 15 7.230168 2.504601 2.361358 10.971063 1.261625 17.009918 16 2.892068 5.009209 2.361358 10.960679 1.280318 17.016690 17 5.784132 5.009209 2.361358 10.954850 1.280316 16.930005 18 8.676204 5.009209 2.361358 10.950898 1.280319 16.872440 19 1.424706 0.775358 4.766401 10.984628 1.282463 17.401355 20 4.326699 0.792361 4.742790 11.006027 1.307015 17.326860 21 7.212542 0.769324 4.774980 10.983815 1.289488 17.444697 22 2.888285 3.281123 4.738437 11.003517 1.303780 17.286904 23 5.740386 3.272963 4.682035 11.002422 1.223596 17.182611 24 8.668201 3.277028 4.700242 11.004143 1.268543 17.211054 25 4.311859 5.791427 4.783150 10.999406 1.295559 17.559826 26 7.207935 5.802480 4.711136 10.994270 1.276257 17.164325 27 10.105834 5.790165 4.737021 10.995123 1.297839 17.343113 28 8.630181 1.530413 7.197972 11.033808 1.293287 24.850855 29 2.842045 1.556350 7.198508 10.978118 1.299176 28.982619 30 5.735393 1.554607 7.204342 11.020871 1.274202 23.451703 31 10.123030 4.013374 7.079572 11.037817 1.234548 19.437777 32 4.289925 4.057540 7.208030 11.013161 1.283310 23.518072 33 7.170302 4.056368 6.929282 11.004835 1.205025 16.546694 34 11.490161 6.547699 7.242943 11.040847 1.291660 26.193119 35 5.717637 6.577852 7.207365 11.036638 1.302325 25.190823 36 8.611888 6.636054 7.088965 11.031562 1.246332 19.495342 37 6.033143 3.377878 9.131880 10.971781 1.080309 55.445274 38 8.509903 3.400901 9.119678 10.962256 1.098731 47.822404 39 7.286546 5.515475 9.124975 10.937434 1.103064 47.795992 40 9.762157 5.537693 9.140994 10.965419 1.108696 55.778470 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0055 VACUUM VOLUME: 347.2591 NUMBER OF ELECTRONS: 440.0000