# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.467048 1.437033 0.000000 10.017480 1.095360 25.814309 2 2.489014 1.437033 0.000000 10.019678 1.097367 25.535882 3 4.978034 1.437033 0.000000 10.016576 1.098687 25.651190 4 8.711558 3.592588 0.000000 10.012407 1.081816 25.732750 5 3.733524 3.592588 0.000000 10.046279 1.098687 25.912040 6 6.222545 3.592588 0.000000 10.018623 1.094915 25.660330 7 9.956065 5.748137 0.000000 10.015145 1.099567 25.592833 8 4.978031 5.748137 0.000000 10.050181 1.095360 25.867745 9 7.467052 5.748137 0.000000 10.045215 1.081816 25.911337 10 0.000000 0.000000 2.032264 9.946211 1.073301 10.684305 11 2.489014 0.000000 2.032264 10.002314 1.075121 10.893125 12 4.978034 0.000000 2.032264 9.979816 1.075519 10.808753 13 8.711555 2.155549 2.032264 9.970697 1.073770 10.770083 14 3.733520 2.155549 2.032264 9.953860 1.062840 10.700476 15 6.222541 2.155549 2.032264 9.993944 1.073752 10.869923 16 9.956065 4.311104 2.032264 9.994353 1.075519 10.860783 17 4.978031 4.311104 2.032264 9.974763 1.073752 10.782739 18 7.467052 4.311104 2.032264 9.948870 1.079115 10.683601 19 1.239552 0.723515 4.040796 9.994243 1.073024 10.794691 20 3.737086 0.722235 4.038642 10.012148 1.085643 10.865001 21 6.224356 0.721284 4.050176 9.984231 1.081486 10.785551 22 2.487979 2.876387 4.041319 9.994057 1.086164 10.782739 23 4.983067 2.874376 4.039427 9.970967 1.077105 10.703991 24 7.470109 2.874350 4.045889 10.001294 1.081539 10.824925 25 3.733778 5.034509 4.043493 10.012605 1.075631 10.874142 26 6.225345 5.032970 4.034154 10.001640 1.072821 10.815784 27 8.713817 5.032485 4.039528 9.982268 1.085372 10.750396 28 7.458013 1.457933 6.076844 9.975887 1.088146 10.938827 29 2.496615 1.452798 6.043088 10.026921 1.086082 11.025308 30 4.969586 1.458845 6.068934 10.039637 1.081479 11.156788 31 8.727941 3.607487 6.059171 10.016064 1.084652 11.038667 32 3.743171 3.595925 6.057138 10.015812 1.076617 11.083665 33 6.221970 3.610268 6.046470 10.035829 1.080735 11.091399 34 9.962028 5.748880 6.066297 10.008147 1.080586 11.026714 35 4.982253 5.757403 6.049046 10.027552 1.083082 11.011246 36 7.472107 5.760824 6.050073 9.986335 1.088380 10.883282 37 0.043895 0.039802 8.121508 10.972795 1.076989 21.390405 38 2.507442 0.032618 8.098078 10.965259 1.078175 17.607025 39 5.000880 0.014311 8.118911 10.990228 1.101665 22.255218 40 8.709300 2.177173 8.119213 10.946675 1.091877 18.798076 41 3.704462 2.126300 8.174930 10.894289 0.875757 12.301434 42 6.214283 2.199134 8.174347 10.926232 1.113195 19.144704 43 9.990402 4.322466 8.173401 10.917135 1.110391 17.710381 44 5.038947 4.394472 8.118569 10.901020 0.846413 11.890121 45 7.511212 4.337488 8.105606 10.956429 1.101531 19.593282 46 4.759627 3.832572 9.899140 3.855833 0.436373 11.035854 47 3.747995 2.765581 10.040305 3.225680 0.217402 9.492550 48 5.294667 4.305407 11.034215 6.900948 0.573520 42.281610 49 4.870931 3.853252 11.804249 0.354751 0.068832 9.918629 50 3.267871 2.378060 11.101204 7.097149 0.668658 50.032582 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0036 VACUUM VOLUME: 163.3280 NUMBER OF ELECTRONS: 480.0000