# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.315576 1.600332 0.000000 10.038564 1.248622 32.116907 2 2.771856 1.600332 0.000000 10.034151 1.248623 32.151718 3 5.543720 1.600332 0.000000 10.047120 1.248621 32.266533 4 9.701508 4.000837 0.000000 10.068719 1.248619 32.508376 5 4.157788 4.000837 0.000000 10.022814 1.248621 32.530972 6 6.929652 4.000837 0.000000 10.025690 1.248618 32.317833 7 11.087436 6.401334 0.000000 10.076674 1.248621 32.348979 8 5.543716 6.401334 0.000000 10.026082 1.248622 32.198133 9 8.315580 6.401334 0.000000 10.005491 1.248619 32.080265 10 0.000000 0.000000 2.263219 9.914053 1.241849 15.013825 11 2.771856 0.000000 2.263219 10.003807 1.241848 15.332619 12 5.543720 0.000000 2.263219 9.953530 1.241850 15.167115 13 9.701504 2.400498 2.263219 9.904276 1.241848 14.957639 14 4.157784 2.400498 2.263219 9.918677 1.241847 15.029704 15 6.929648 2.400498 2.263219 9.989515 1.241849 15.307579 16 11.087436 4.801002 2.263219 9.995764 1.241850 15.313076 17 5.543716 4.801002 2.263219 9.930163 1.241849 15.088943 18 8.315580 4.801002 2.263219 9.970503 1.241852 15.211086 19 1.383209 0.803810 4.563869 10.003469 1.253720 15.469419 20 4.165546 0.803903 4.581049 9.984104 1.255099 15.458426 21 6.926060 0.800360 4.594670 9.941706 1.247311 15.352772 22 2.777573 3.205726 4.576459 9.985531 1.254621 15.456594 23 5.549258 3.198301 4.587070 9.986043 1.248686 15.492015 24 8.317696 3.203616 4.574459 9.996123 1.258691 15.488351 25 4.158507 5.604301 4.582859 10.007948 1.239228 15.565912 26 6.935872 5.606526 4.573280 9.987908 1.256703 15.452319 27 9.706157 5.606224 4.577659 9.983340 1.255989 15.433997 28 8.299905 1.608491 6.919342 10.165222 1.266288 16.213881 29 2.770671 1.609658 6.905784 10.183794 1.258451 16.169299 30 5.528823 1.617522 6.981217 10.182323 1.260156 16.542446 31 9.713499 4.005604 6.923616 10.155454 1.257620 16.199834 32 4.171218 4.006094 6.933658 10.150411 1.260868 16.455724 33 6.930891 4.012877 6.918521 10.185860 1.258318 16.331749 34 11.090991 6.393448 6.957974 10.180423 1.251362 16.436181 35 5.547279 6.416781 6.909405 10.196072 1.261035 16.265792 36 8.322025 6.408651 6.921005 10.164271 1.263319 16.209606 37 0.056363 0.049273 9.020726 10.816828 1.059987 26.095865 38 2.797418 0.049719 9.002979 10.820007 1.049854 22.892053 39 5.580670 0.025342 9.031211 10.842791 1.051148 28.570484 40 9.649066 2.389911 9.012789 10.813656 1.022049 23.565672 41 3.996054 2.360472 9.074769 10.743124 0.863685 14.508764 42 6.944358 2.445032 9.038811 10.795741 1.036258 24.264330 43 11.125621 4.743419 9.067022 10.763025 1.052688 20.418045 44 5.709154 4.982912 9.033084 10.768297 0.850632 13.907209 45 8.389601 4.818048 9.010452 10.826216 1.051980 25.233535 46 5.209081 4.348100 10.718209 3.811753 0.431859 11.475951 47 4.159809 3.255006 10.787410 3.646281 0.374766 10.592857 48 5.614282 4.766046 11.913177 6.844990 0.542798 43.380941 49 5.091153 4.264008 12.596410 0.378762 0.063924 9.353105 50 3.694544 2.944564 11.890061 6.758717 0.553257 48.596449 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0042 VACUUM VOLUME: 224.9600 NUMBER OF ELECTRONS: 480.0000