# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.467048 1.437033 0.000000 10.044063 1.095360 25.874073 2 2.489014 1.437033 0.000000 10.030105 1.097367 25.599864 3 4.978034 1.437033 0.000000 10.010957 1.098687 25.592833 4 8.711558 3.592588 0.000000 10.015860 1.081816 25.649784 5 3.733524 3.592588 0.000000 10.039697 1.098687 25.812903 6 6.222545 3.592588 0.000000 10.017689 1.094915 25.582989 7 9.956065 5.748137 0.000000 10.023516 1.099567 25.656815 8 4.978031 5.748137 0.000000 10.016198 1.095360 25.772123 9 7.467052 5.748137 0.000000 10.044683 1.081816 25.950007 10 0.000000 0.000000 2.032264 9.946904 1.073301 10.678680 11 2.489014 0.000000 2.032264 9.975621 1.075121 10.773598 12 4.978034 0.000000 2.032264 9.981992 1.075519 10.802425 13 8.711555 2.155549 2.032264 10.000503 1.075121 10.870626 14 3.733520 2.155549 2.032264 9.953557 1.089381 10.687820 15 6.222541 2.155549 2.032264 9.998461 1.073752 10.864298 16 9.956065 4.311104 2.032264 9.992779 1.075519 10.842502 17 4.978031 4.311104 2.032264 9.975068 1.073752 10.768677 18 7.467052 4.311104 2.032264 9.951492 1.077365 10.660399 19 1.246049 0.718807 4.037475 9.981733 1.073465 10.737037 20 3.735282 0.721698 4.038059 9.990846 1.087138 10.769380 21 6.225256 0.719105 4.040756 10.013694 1.074355 10.871329 22 2.492971 2.871815 4.037857 10.017602 1.087707 10.871329 23 4.977512 2.872824 4.038280 9.975995 1.073568 10.710319 24 7.468250 2.877699 4.029383 9.989835 1.068121 10.732115 25 3.734943 5.029271 4.038280 9.990070 1.071519 10.772192 26 6.227652 5.028741 4.028739 10.013745 1.068251 10.825628 27 8.709751 5.028857 4.030289 9.978160 1.071585 10.692039 28 7.471700 1.444211 6.042987 9.984618 1.077842 10.888907 29 2.505034 1.447916 6.067323 10.024032 1.091254 11.084368 30 4.965684 1.449772 6.065854 10.026613 1.074236 11.105461 31 8.718152 3.596274 6.037271 10.017178 1.076659 10.992965 32 3.735148 3.578019 6.064787 10.002353 1.072497 10.997887 33 6.224643 3.594528 6.038136 10.021616 1.070615 11.002809 34 9.958305 5.750995 6.040934 10.013938 1.088553 11.000699 35 4.980226 5.753698 6.034090 10.013135 1.068510 10.990856 36 7.472219 5.755250 6.041176 9.987824 1.079897 10.881876 37 0.004447 0.007197 8.099185 10.987837 1.087866 24.531855 38 2.492415 0.004908 8.100292 10.957723 1.091125 16.494018 39 4.987219 0.005083 8.106854 10.966786 1.095237 19.232592 40 8.711107 2.168262 8.106391 10.963385 1.096592 19.451256 41 3.742316 2.166426 8.267866 10.932803 0.958809 12.579862 42 6.232110 2.162785 8.105707 11.001089 1.095052 20.886283 43 9.956409 4.321929 8.107881 11.008029 1.108055 21.523291 44 4.987574 4.327323 8.087389 10.975007 1.081820 19.275481 45 7.472536 4.317202 8.098118 10.982412 1.090658 24.434124 46 3.202217 1.203580 10.892990 7.585351 0.852209 51.224336 47 3.737709 2.073241 10.241031 2.679744 0.068183 11.228504 48 4.275927 2.908642 10.753194 0.894139 0.195138 21.982415 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0036 VACUUM VOLUME: 184.7535 NUMBER OF ELECTRONS: 470.0000