# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.251936 1.588084 0.000000 10.038636 1.242814 31.721955 2 2.750643 1.588084 0.000000 10.038456 1.242816 31.696779 3 5.501293 1.588084 0.000000 10.004744 1.242813 31.343114 4 9.627261 3.970218 0.000000 10.012852 1.242812 31.448614 5 4.125968 3.970218 0.000000 10.031092 1.242813 32.070226 6 6.876619 3.970218 0.000000 10.044665 1.242810 31.919169 7 11.002583 6.352344 0.000000 10.038179 1.242813 31.672203 8 5.501289 6.352344 0.000000 10.010360 1.242814 31.402458 9 8.251940 6.352344 0.000000 10.041175 1.242812 31.768112 10 0.000000 0.000000 2.245897 9.927859 1.227864 14.602170 11 2.750643 0.000000 2.245897 9.942269 1.227863 14.669306 12 5.501293 0.000000 2.245897 9.960864 1.227865 14.755025 13 9.627257 2.382126 2.245897 9.967977 1.227863 14.790392 14 4.125964 2.382126 2.245897 10.000331 1.227862 14.953437 15 6.876615 2.382126 2.245897 9.960112 1.227864 14.755025 16 11.002583 4.764260 2.245897 9.935535 1.227865 14.635139 17 5.501289 4.764260 2.245897 9.985750 1.227864 14.876110 18 8.251940 4.764260 2.245897 10.017121 1.227867 14.998994 19 1.378044 0.795629 4.533425 10.023866 1.243539 15.148253 20 4.125865 0.795671 4.541357 9.981599 1.245249 14.979213 21 6.874510 0.795328 4.532355 10.018999 1.229056 15.115284 22 2.751979 3.175268 4.541315 9.955956 1.245294 14.859926 23 5.499928 3.175404 4.540749 9.970895 1.222574 14.925264 24 8.251990 3.178491 4.530131 10.007504 1.229468 15.048148 25 4.126001 5.555858 4.532313 10.044859 1.229099 15.238767 26 6.878620 5.557208 4.530131 9.981299 1.229478 14.924065 27 9.625380 5.557230 4.530152 9.990821 1.231489 14.972020 28 8.252600 1.585519 6.821835 10.074130 1.226203 15.092506 29 2.759864 1.593437 6.865713 10.127372 1.237808 15.518102 30 5.494432 1.592393 6.862565 10.094356 1.240102 15.317293 31 9.628854 3.969246 6.834804 10.123832 1.245411 15.372440 32 4.126368 3.962164 6.862586 10.119456 1.240191 15.431185 33 6.875067 3.969331 6.834594 10.137152 1.245077 15.557665 34 11.005170 6.353852 6.821752 10.115167 1.244177 15.276531 35 5.499379 6.354252 6.821814 10.098243 1.226213 15.203400 36 8.251862 6.354223 6.834804 10.099593 1.245423 15.259747 37 0.000198 0.000129 8.908820 10.903117 1.066605 30.226971 38 2.780506 0.044994 8.906890 10.895689 1.055546 26.345048 39 5.577149 0.046173 8.905610 10.889336 1.054248 25.903866 40 9.577201 2.385499 8.906890 10.887641 1.057545 26.208977 41 4.130267 2.384692 8.966715 10.737936 0.869549 13.448263 42 6.930405 2.385264 8.905673 10.893945 1.065951 25.528621 43 10.973833 4.806924 8.905610 10.908870 1.058750 26.202383 44 5.530922 4.809311 8.905673 10.892954 1.065973 25.519630 45 8.251986 4.764295 8.914234 10.907737 1.070342 30.174821 46 4.204233 2.427920 11.948688 6.975930 0.708719 56.807596 47 4.172315 2.409311 10.792827 3.179498 0.341506 15.289119 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0043 VACUUM VOLUME: 244.4850 NUMBER OF ELECTRONS: 469.0000