# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.467048 1.437033 0.000000 10.014739 1.095360 25.748921 2 2.489014 1.437033 0.000000 10.030017 1.097367 25.748218 3 4.978034 1.437033 0.000000 10.010535 1.098687 25.592833 4 8.711558 3.592588 0.000000 10.044074 1.081816 26.011880 5 3.733524 3.592588 0.000000 10.041218 1.098687 25.801653 6 6.222545 3.592588 0.000000 10.022391 1.094915 25.601270 7 9.956065 5.748137 0.000000 10.022133 1.099567 25.621660 8 4.978031 5.748137 0.000000 10.044761 1.095360 25.927508 9 7.467052 5.748137 0.000000 10.012661 1.081816 25.675799 10 0.000000 0.000000 2.032264 9.945864 1.073301 10.671649 11 2.489014 0.000000 2.032264 9.996324 1.073770 10.853049 12 4.978034 0.000000 2.032264 9.984136 1.075519 10.819300 13 8.711555 2.155549 2.032264 9.968597 1.079559 10.758833 14 3.733520 2.155549 2.032264 9.950054 1.089381 10.695554 15 6.222541 2.155549 2.032264 9.986018 1.073752 10.836174 16 9.956065 4.311104 2.032264 9.991781 1.075519 10.855861 17 4.978031 4.311104 2.032264 9.974309 1.073752 10.780629 18 7.467052 4.311104 2.032264 9.948854 1.079115 10.667430 19 1.267360 0.723062 4.030389 9.967270 1.080039 10.654774 20 3.756888 0.722429 4.039166 10.003165 1.071216 10.820706 21 6.243512 0.720786 4.039085 9.998053 1.067858 10.824221 22 2.513476 2.878333 4.049150 9.995899 1.080242 10.819300 23 4.999864 2.875300 4.045768 9.963886 1.077044 10.701179 24 7.493224 2.880176 4.039770 10.008850 1.090403 10.838987 25 3.752991 5.029478 4.045184 9.997968 1.065458 10.824925 26 6.245641 5.030655 4.028860 9.995504 1.078059 10.764458 27 8.734370 5.032582 4.040152 9.968328 1.075000 10.687820 28 7.524380 1.456083 6.030729 10.019306 1.095169 10.979606 29 2.544912 1.451531 6.056393 10.011230 1.095280 10.977497 30 5.019902 1.450457 6.063559 10.029433 1.096171 11.081556 31 8.787711 3.615292 6.074026 10.007408 1.098649 11.023902 32 3.780290 3.592045 6.091136 10.005565 1.073748 11.112492 33 6.279044 3.607015 6.043390 10.002779 1.078235 10.902969 34 10.007371 5.746688 6.063278 10.025304 1.095600 11.084368 35 5.030479 5.761122 6.027951 10.017259 1.089608 10.934608 36 7.519762 5.757009 6.046591 10.015390 1.089075 10.969060 37 0.090142 0.064744 8.070884 10.952284 1.099084 18.210285 38 2.574784 0.005930 8.089342 10.964671 1.088650 16.631826 39 8.808260 6.466233 8.115288 10.988279 1.097639 20.709805 40 1.339801 2.185321 8.106351 10.972459 1.115782 18.771358 41 3.832347 2.081131 8.211867 10.896117 0.920980 12.379478 42 6.322510 2.171043 8.091194 10.980479 1.098050 20.997372 43 2.617835 4.380679 8.268530 10.856189 0.876511 15.312811 44 5.095428 4.336466 8.067522 10.877336 0.942666 11.940041 45 7.583209 4.327012 8.105264 10.990359 1.095678 21.842498 46 3.860408 4.089647 9.848375 4.068831 0.416449 14.389641 47 3.578396 2.487514 10.142278 2.668887 0.071704 8.847808 48 4.807756 4.621523 10.408364 6.285015 0.320278 37.674900 49 3.248267 2.022788 11.183491 7.474635 0.732061 52.785921 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0034 VACUUM VOLUME: 176.8008 NUMBER OF ELECTRONS: 479.0000