# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 0.000428 2.980184 5.999995 1.924214 0.907485 14.116824 2 3.290611 1.490626 6.000247 1.928463 0.906215 8.672304 3 3.290150 2.957536 9.167179 1.908438 0.893806 7.680375 4 0.000773 1.492557 9.379697 1.885704 0.882554 7.496444 5 0.010074 2.981561 12.825961 1.893978 0.875109 7.747294 6 3.303566 1.493934 12.495210 1.880559 0.863148 7.527800 7 3.289594 2.981496 15.740504 1.958162 0.889925 10.489056 8 0.000258 1.457801 16.134370 2.032111 0.848170 8.118216 9 0.000041 5.960982 5.999995 1.924825 0.907485 14.207833 10 3.290223 4.471424 6.000247 1.928499 0.906215 8.668098 11 3.289769 5.938370 9.166299 1.910364 0.893866 7.701789 12 0.000386 4.468055 9.379697 1.885656 0.881892 7.494532 13 0.009758 0.000757 12.781586 1.918442 0.901849 7.699877 14 3.303186 4.468324 12.495160 1.881401 0.863688 7.538125 15 3.290120 0.000698 15.771999 1.934703 0.873090 10.570123 16 -0.000204 4.505071 16.134396 2.032530 0.848914 8.127776 17 0.000625 0.000507 7.985806 7.016811 0.915780 12.461442 18 3.290600 0.000501 7.303828 7.039182 0.856881 12.021307 19 4.594232 1.491806 9.287903 7.072414 0.880287 12.481326 20 1.986851 1.490321 9.287953 7.073924 0.880228 12.488209 21 3.288528 0.000310 11.353684 7.022208 0.821945 12.430850 22 0.000296 0.000477 10.559234 7.048744 0.846668 12.721087 23 1.303855 1.495985 12.622349 7.084124 0.888901 12.692408 24 5.268147 1.495615 12.620613 7.081273 0.902071 12.661051 25 6.579187 0.000709 14.593619 7.039250 0.817744 13.015530 26 3.288995 0.000596 13.974179 7.029772 0.849862 12.712292 27 4.533420 1.508326 16.121541 7.090717 0.864796 21.236227 28 2.046211 1.508081 16.121918 7.089712 0.864723 21.663743 29 3.290482 0.000507 4.701823 6.987051 0.908827 105.071431 30 0.000224 0.000668 17.217711 6.916630 0.791859 71.880433 31 1.304362 1.491806 6.003894 7.061338 0.909387 20.090959 32 5.276708 1.490321 6.003945 7.065086 0.908936 20.261506 33 0.000238 2.981305 7.985806 7.016533 0.915780 12.442705 34 3.290213 2.981299 7.303828 7.039675 0.856881 12.024748 35 4.593845 4.472604 9.287903 7.072667 0.880287 12.482474 36 1.986463 4.471119 9.287953 7.073588 0.880228 12.488209 37 3.288607 2.981126 11.345382 7.020897 0.826761 12.389934 38 -0.000144 2.981263 10.556517 7.046319 0.844748 12.754738 39 1.303469 4.467095 12.622349 7.083583 0.890032 12.686672 40 5.267780 4.467215 12.620588 7.081800 0.906444 12.663728 41 -0.000013 2.981519 14.650471 7.065626 0.874596 13.060270 42 3.288311 2.981376 13.941828 7.026028 0.807344 12.552452 43 4.532991 4.454797 16.121465 7.090611 0.865800 21.251905 44 2.045782 4.454725 16.122019 7.089936 0.865788 21.707336 45 3.290094 2.981305 4.701823 6.987010 0.908827 103.767469 46 1.303974 4.472604 6.003894 7.061318 0.909387 20.127668 47 5.276320 4.471119 6.003945 7.064852 0.908936 20.209883 48 6.578885 2.981442 17.471912 4.633264 0.917246 144.402522 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0000 VACUUM VOLUME: 0.0000 NUMBER OF ELECTRONS: 254.0000