# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 2.544093 2.544093 0.000000 10.872839 0.765192 7.494816 2 2.544093 0.000000 2.875081 10.872839 0.765192 7.494816 3 0.000000 0.000000 5.750163 10.872839 0.765192 7.494816 4 0.000000 2.544093 8.625244 10.872839 0.765192 7.494816 5 0.000000 0.000000 0.000000 12.809773 1.167722 14.723640 6 0.000000 2.544093 2.875081 12.809773 1.167722 14.723640 7 2.544093 2.544093 5.750163 12.809773 1.167722 14.723640 8 2.544093 0.000000 8.625244 12.809773 1.167722 14.723640 9 0.720187 3.815998 4.827032 7.081556 0.739615 13.105070 10 3.816283 0.720187 1.951950 7.084081 0.739615 13.172914 11 1.271904 4.368000 1.951950 7.073815 0.739615 12.928460 12 4.368000 1.272189 4.827032 7.076383 0.739615 12.991996 13 3.264281 3.815998 3.798213 7.085255 0.739615 13.143838 14 3.816283 3.264281 0.923131 7.087895 0.739615 13.228554 15 1.823906 1.272189 3.798213 7.072586 0.739615 12.951792 16 1.271904 1.823906 0.923131 7.069765 0.739615 12.869948 17 3.264281 1.271904 10.577195 7.074415 0.739615 13.041533 18 1.272189 3.264281 7.702113 7.073616 0.739615 12.996663 19 3.815998 1.823906 7.702113 7.084183 0.739615 13.103634 20 1.823906 3.816283 10.577195 7.083622 0.739615 13.056610 21 0.720187 1.271904 9.548376 7.077172 0.739615 13.032918 22 1.272189 0.720187 6.673294 7.077279 0.739615 13.043687 23 4.368000 3.816283 9.548376 7.080571 0.739615 13.061635 24 3.815998 4.368000 6.673294 7.080478 0.739615 13.055892 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0069 VACUUM VOLUME: 0.0804 NUMBER OF ELECTRONS: 208.0000