# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.251936 1.588084 0.000000 10.025390 1.242814 31.567302 2 2.750643 1.588084 0.000000 10.033180 1.242816 31.821461 3 5.501293 1.588084 0.000000 10.010935 1.242813 31.386273 4 9.627261 3.970218 0.000000 10.008285 1.242812 31.588881 5 4.125968 3.970218 0.000000 10.031515 1.242813 31.654819 6 6.876619 3.970218 0.000000 10.048548 1.242810 31.941348 7 11.002583 6.352344 0.000000 10.063893 1.242813 31.975515 8 5.501289 6.352344 0.000000 10.008096 1.242814 31.476788 9 8.251940 6.352344 0.000000 10.029010 1.242812 31.698578 10 0.000000 0.000000 2.245897 10.008862 1.227864 14.972619 11 2.750643 0.000000 2.245897 9.958222 1.227863 14.749630 12 5.501293 0.000000 2.245897 9.954404 1.227865 14.741838 13 9.627257 2.382126 2.245897 9.972370 1.227863 14.817966 14 4.125964 2.382126 2.245897 9.999136 1.227862 14.953437 15 6.876615 2.382126 2.245897 9.977961 1.227864 14.833551 16 11.002583 4.764260 2.245897 9.932446 1.227865 14.626147 17 5.501289 4.764260 2.245897 9.935332 1.227864 14.644730 18 8.251940 4.764260 2.245897 10.021301 1.227867 15.021773 19 1.375185 0.796622 4.536405 10.004744 1.244129 15.079917 20 4.122812 0.797701 4.546100 9.998009 1.244396 15.090108 21 6.875006 0.796400 4.535062 10.003540 1.236463 15.048148 22 2.750791 3.174853 4.541882 9.988393 1.242258 15.024170 23 5.498376 3.175690 4.539574 10.002039 1.239151 15.072125 24 8.249196 3.178770 4.527277 10.007548 1.235982 15.055940 25 4.123410 5.560531 4.526962 10.023689 1.233344 15.138662 26 6.878438 5.559681 4.531600 9.998774 1.234807 15.026568 27 9.620033 5.561175 4.531747 10.008681 1.237089 15.081116 28 8.249559 1.589728 6.829180 10.090757 1.220832 15.216588 29 2.756700 1.593801 6.885627 10.096768 1.239603 15.471347 30 5.487797 1.598511 6.860950 10.117800 1.232186 15.389824 31 9.625413 3.975277 6.829914 10.089343 1.244929 15.203400 32 4.123798 3.965901 6.849912 10.094904 1.235679 15.242963 33 6.879094 3.974234 6.839273 10.090173 1.239883 15.230974 34 11.001852 6.356239 6.822633 10.088921 1.245230 15.181222 35 5.496949 6.357661 6.818688 10.088169 1.228767 15.171631 36 8.247104 6.359619 6.860194 10.099261 1.245085 15.341270 37 12.376526 7.140755 8.906680 10.894190 1.061790 28.643271 38 6.827078 7.080904 8.937002 10.821946 1.062492 19.537296 39 9.671385 7.140269 8.912031 10.877218 1.063340 25.199533 40 9.567579 2.415571 8.907016 10.853426 1.061654 22.093874 41 4.178917 2.451075 8.992567 10.820970 0.874896 14.254499 42 6.894493 2.379589 8.914570 10.901361 1.052826 26.830588 43 10.988030 4.787907 8.903553 10.889763 1.060271 25.091036 44 5.518028 4.798855 8.899671 10.890648 1.076130 24.710396 45 8.255196 4.758064 8.920949 10.904618 1.071495 29.611354 46 3.199370 1.392823 11.384030 7.023273 0.657821 46.146094 47 3.844375 2.303673 10.885324 3.271902 0.251336 13.752774 48 4.269692 3.098616 11.550874 0.935425 0.254012 24.865649 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0049 VACUUM VOLUME: 245.1834 NUMBER OF ELECTRONS: 470.0000