# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.251936 1.588084 0.000000 9.986548 1.242814 31.303552 2 2.750643 1.588084 0.000000 10.068721 1.242816 31.771109 3 5.501293 1.588084 0.000000 10.058810 1.242813 31.960529 4 9.627261 3.970218 0.000000 10.035752 1.242812 31.650623 5 4.125968 3.970218 0.000000 10.003189 1.242813 31.428833 6 6.876619 3.970218 0.000000 10.034791 1.242810 31.947941 7 11.002583 6.352344 0.000000 10.022268 1.242813 31.588881 8 5.501289 6.352344 0.000000 10.058278 1.242814 31.886799 9 8.251940 6.352344 0.000000 9.989940 1.242812 31.575094 10 0.000000 0.000000 2.245897 9.975819 1.227864 14.807775 11 2.750643 0.000000 2.245897 9.965457 1.227863 14.769412 12 5.501293 0.000000 2.245897 9.951984 1.227865 14.720858 13 9.627257 2.382126 2.245897 9.942518 1.227863 14.665710 14 4.125964 2.382126 2.245897 9.995264 1.227862 14.949841 15 6.876615 2.382126 2.245897 10.000204 1.227864 14.953437 16 11.002583 4.764260 2.245897 9.965852 1.227865 14.796386 17 5.501289 4.764260 2.245897 9.956870 1.227864 14.747233 18 8.251940 4.764260 2.245897 9.999744 1.227867 14.947443 19 1.389044 0.809636 4.512357 10.017027 1.237372 15.041554 20 4.135602 0.800245 4.541798 10.004461 1.248227 15.106892 21 6.883357 0.801774 4.529082 9.986575 1.236306 14.983409 22 2.762447 3.185452 4.546687 10.007202 1.254117 15.116483 23 5.515920 3.180035 4.553759 10.003739 1.257655 15.153648 24 8.263188 3.191183 4.538147 9.989342 1.247824 15.019974 25 4.131798 5.563469 4.531789 10.019201 1.237639 15.142858 26 6.887206 5.556287 4.534076 10.006806 1.239708 15.080517 27 9.635864 5.565169 4.537664 10.008339 1.244346 15.088310 28 8.281635 1.615269 6.793549 10.082035 1.240117 15.076321 29 2.787520 1.618499 6.857592 10.098823 1.245169 15.225579 30 5.517587 1.601026 6.871106 10.098588 1.222738 15.323287 31 9.679084 3.991871 6.872176 10.079188 1.243888 15.282526 32 4.160453 3.975049 6.864874 10.105494 1.217127 15.507912 33 6.905319 3.987812 6.899203 10.117109 1.245637 15.669759 34 11.027120 6.365029 6.842903 10.101433 1.239107 15.289719 35 5.531681 6.398481 6.784001 10.102691 1.236390 15.110488 36 8.274328 6.359362 6.838979 10.096547 1.245161 15.233972 37 8.270074 0.087043 8.894257 10.884374 1.063567 24.915402 38 2.798962 0.041613 8.896943 10.876527 1.096327 21.895462 39 9.665744 7.125812 8.930287 10.888129 1.071336 26.433764 40 9.627001 2.385285 8.917864 10.872531 1.073610 23.695557 41 4.156929 2.267834 9.019532 10.786675 0.911348 14.533235 42 6.975683 2.293490 8.905253 10.854537 1.040893 23.525918 43 2.864354 4.861772 8.993344 10.799918 1.103964 20.365711 44 5.461721 4.981638 8.840161 10.721002 0.885507 12.618649 45 8.387845 4.802157 8.928650 10.868382 1.069377 24.675629 46 4.803753 4.377883 10.606174 3.330135 0.280295 14.802980 47 4.114205 2.925680 10.865851 3.148779 0.222848 10.523633 48 5.924118 4.629093 11.025455 6.993249 0.636677 38.757492 49 3.647281 2.593323 11.913498 7.034585 0.655780 52.765624 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0046 VACUUM VOLUME: 236.0247 NUMBER OF ELECTRONS: 479.0000