# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.315576 1.600332 0.000000 10.039724 1.248622 32.254929 2 2.771856 1.600332 0.000000 10.039724 1.248623 32.254929 3 5.543720 1.600332 0.000000 10.039724 1.248621 32.254929 4 9.701508 4.000837 0.000000 10.039724 1.248619 32.254929 5 4.157788 4.000837 0.000000 10.039724 1.248621 32.254929 6 6.929652 4.000837 0.000000 10.039724 1.248618 32.254929 7 11.087436 6.401334 0.000000 10.039724 1.248621 32.254929 8 5.543716 6.401334 0.000000 10.039724 1.248622 32.254929 9 8.315580 6.401334 0.000000 10.039724 1.248619 32.254929 10 0.000000 0.000000 2.263219 9.933006 1.241849 15.042529 11 2.771856 0.000000 2.263219 9.959459 1.241848 15.144518 12 5.543720 0.000000 2.263219 9.927530 1.241850 15.021154 13 9.701504 2.400498 2.263219 9.959459 1.241848 15.144518 14 4.157784 2.400498 2.263219 9.991388 1.241847 15.267883 15 6.929648 2.400498 2.263219 9.985912 1.241849 15.246508 16 11.087436 4.801002 2.263219 9.959459 1.241850 15.144518 17 5.543716 4.801002 2.263219 9.959459 1.241849 15.144518 18 8.315580 4.801002 2.263219 9.959459 1.241852 15.144518 19 1.385928 0.800166 4.567301 10.005037 1.256822 15.482244 20 4.157784 0.800166 4.567301 10.005037 1.256819 15.482244 21 6.929648 0.800166 4.567301 9.990198 1.256822 15.423615 22 2.771856 3.200663 4.567301 10.005037 1.256819 15.482244 23 5.543712 3.200663 4.567301 10.019876 1.256818 15.540873 24 8.315576 3.200663 4.567301 10.005037 1.256820 15.482244 25 4.157788 5.601168 4.567301 10.005037 1.256822 15.482244 26 6.929644 5.601168 4.567301 10.005037 1.256820 15.482244 27 9.701508 5.601168 4.567301 10.005037 1.256820 15.482244 28 8.315576 1.600332 6.909847 10.156303 1.257057 16.400760 29 2.771856 1.600332 6.909847 10.156303 1.257056 16.400760 30 5.543720 1.600332 6.909847 10.156303 1.257056 16.400760 31 9.701508 4.000837 6.909847 10.156303 1.257055 16.400760 32 4.157788 4.000837 6.909847 10.156303 1.257056 16.400760 33 6.929652 4.000837 6.909847 10.156303 1.257053 16.400760 34 11.087436 6.401334 6.909847 10.156303 1.257057 16.400760 35 5.543716 6.401334 6.909847 10.156303 1.257057 16.400760 36 8.315580 6.401334 6.909847 10.156303 1.257055 16.400760 37 0.000000 0.000000 8.997842 10.838988 1.044650 30.163840 38 2.771856 0.000000 8.997842 10.838988 1.044648 30.163840 39 5.543720 0.000000 8.997842 10.838656 1.044651 30.160786 40 9.701504 2.400498 8.997842 10.838988 1.044648 30.163840 41 4.157784 2.400498 8.997842 10.839321 1.044646 30.166894 42 6.929648 2.400498 8.997842 10.838988 1.044650 30.163840 43 11.087436 4.801002 8.997842 10.838988 1.044651 30.163840 44 5.543716 4.801002 8.997842 10.838988 1.044650 30.163840 45 8.315580 4.801002 8.997842 10.838988 1.044653 30.163840 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0044 VACUUM VOLUME: 275.7343 NUMBER OF ELECTRONS: 459.0000