# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.315576 1.600332 0.000000 10.039061 1.248622 32.243936 2 2.771856 1.600332 0.000000 10.038838 1.248623 32.243326 3 5.543720 1.600332 0.000000 10.039061 1.248621 32.243936 4 9.701508 4.000837 0.000000 10.039061 1.248619 32.243936 5 4.157788 4.000837 0.000000 10.039285 1.248621 32.244547 6 6.929652 4.000837 0.000000 10.039061 1.248618 32.243936 7 11.087436 6.401334 0.000000 10.039061 1.248621 32.243936 8 5.543716 6.401334 0.000000 10.039061 1.248622 32.243936 9 8.315580 6.401334 0.000000 10.039061 1.248619 32.243936 10 0.000000 0.000000 2.263219 9.929286 1.241849 15.029093 11 2.771856 0.000000 2.263219 9.955736 1.241848 15.131083 12 5.543720 0.000000 2.263219 9.923810 1.241850 15.007718 13 9.701504 2.400498 2.263219 9.955736 1.241848 15.131083 14 4.157784 2.400498 2.263219 9.987663 1.241847 15.254447 15 6.929648 2.400498 2.263219 9.982187 1.241849 15.233072 16 11.087436 4.801002 2.263219 9.955736 1.241850 15.131083 17 5.543716 4.801002 2.263219 9.955736 1.241849 15.131083 18 8.315580 4.801002 2.263219 9.955736 1.241852 15.131083 19 1.385928 0.800166 4.567301 9.983362 1.253650 15.386972 20 4.157784 0.800166 4.567301 9.983362 1.253651 15.386972 21 6.929648 0.800166 4.567301 9.969067 1.253649 15.329565 22 2.771856 3.200663 4.567301 9.983362 1.253651 15.386972 23 5.543712 3.200663 4.567301 9.997657 1.253652 15.444380 24 8.315576 3.200663 4.567301 9.983362 1.253650 15.386972 25 4.157788 5.601168 4.567301 9.983362 1.253649 15.386972 26 6.929644 5.601168 4.567301 9.983362 1.253650 15.386972 27 9.701508 5.601168 4.567301 9.983362 1.253647 15.386972 28 8.315576 1.600332 6.909847 10.180146 1.257057 16.502749 29 2.771856 1.600332 6.909847 10.180146 1.257056 16.502749 30 5.543720 1.600332 6.909847 10.180146 1.257056 16.502749 31 9.701508 4.000837 6.909847 10.180146 1.257055 16.502749 32 4.157788 4.000837 6.909847 10.180146 1.257056 16.502749 33 6.929652 4.000837 6.909847 10.180146 1.257053 16.502749 34 11.087436 6.401334 6.909847 10.180146 1.257057 16.502749 35 5.543716 6.401334 6.909847 10.180146 1.257057 16.502749 36 8.315580 6.401334 6.909847 10.180146 1.257055 16.502749 37 0.000000 0.000000 8.997842 10.841207 1.044650 30.166894 38 2.771856 0.000000 8.997842 10.841207 1.044648 30.166894 39 5.543720 0.000000 8.997842 10.840874 1.044651 30.163840 40 9.701504 2.400498 8.997842 10.841207 1.044648 30.166894 41 4.157784 2.400498 8.997842 10.841539 1.044646 30.169947 42 6.929648 2.400498 8.997842 10.841207 1.044650 30.166894 43 11.087436 4.801002 8.997842 10.841207 1.044651 30.166894 44 5.543716 4.801002 8.997842 10.841207 1.044650 30.166894 45 8.315580 4.801002 8.997842 10.841207 1.044653 30.166894 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0044 VACUUM VOLUME: 275.8662 NUMBER OF ELECTRONS: 459.0000