# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.230840 11.583894 6.932492 4.046950 0.613338 51.295723 2 8.468755 12.298981 6.971746 3.821950 0.605781 48.585462 3 1.077166 0.903216 7.005300 4.169178 0.634256 52.093265 4 2.321061 1.617893 7.041400 3.926905 0.623422 45.856434 5 2.300065 3.039157 7.041362 4.174435 0.643469 45.006459 6 3.533502 3.762230 7.059887 4.020803 0.609196 38.852695 7 3.503899 5.180943 7.011152 4.047505 0.607490 41.879765 8 4.730646 5.902759 6.966179 4.060676 0.602154 38.726026 9 4.736552 7.318499 6.907868 4.031200 0.607500 40.931546 10 5.969923 8.027279 6.894853 3.987547 0.624496 38.900437 11 5.984169 9.445800 6.889552 3.990017 0.600012 42.328762 12 7.220582 10.161309 6.909046 4.055448 0.651866 44.854678 13 9.707766 11.595277 6.974159 4.000986 0.616456 50.910751 14 10.948671 12.313004 7.003438 3.918463 0.624005 42.335937 15 3.582771 0.930892 7.051964 3.989418 0.631975 37.188344 16 4.835932 1.652901 7.102219 4.069420 0.623854 33.112051 17 4.811168 3.101610 7.145691 3.406428 0.396815 24.523438 18 5.947942 5.186596 7.052648 3.430611 0.439119 27.843585 19 7.211509 5.904682 6.990537 3.481193 0.446183 29.795492 20 7.201147 7.319063 6.919173 4.049243 0.609225 37.412980 21 8.437753 8.028394 6.932815 3.980228 0.623866 34.518925 22 8.452525 9.452465 6.925614 4.047838 0.654002 40.198029 23 9.691106 10.164835 6.953088 3.988230 0.598050 44.936364 24 12.166352 11.580817 6.981170 4.048752 0.647006 37.483075 25 13.409240 12.284495 6.978073 4.023359 0.603982 36.390250 26 6.073795 0.902268 7.041001 3.372834 0.402822 26.444437 27 9.599120 5.862406 7.077006 3.506794 0.385627 24.050157 28 9.651696 7.294707 6.988960 4.047165 0.635103 34.808689 29 10.893719 8.002731 6.994736 4.130490 0.617240 39.340602 30 10.910526 9.435532 6.968364 3.923905 0.611155 43.439801 31 12.147687 10.148747 6.967300 4.172251 0.640156 46.302119 32 14.618891 11.543553 6.930630 3.867790 0.618495 35.202769 33 15.857140 12.234912 6.921016 3.882943 0.621892 36.194314 34 8.442334 0.820009 7.009062 3.470996 0.434104 27.215486 35 9.685422 1.544646 7.117666 3.913072 0.614372 28.646094 36 10.858061 3.698007 7.244681 3.949108 0.611826 25.175270 37 10.842756 5.138231 7.173298 4.083188 0.622672 29.046244 38 12.087509 5.850446 7.097013 4.028305 0.634643 34.151063 39 12.116240 7.279824 7.029259 3.958594 0.622334 38.883051 40 13.355924 7.991617 6.995553 4.012982 0.607884 46.477082 41 13.368765 9.418316 6.961828 3.950180 0.627514 45.852295 42 14.606139 10.122263 6.932112 4.164500 0.619178 40.471235 43 17.094692 11.542451 6.897874 4.133158 0.611996 38.233151 44 18.325480 12.260524 6.902282 4.015112 0.617994 40.650061 45 10.924181 0.859760 6.982424 4.114717 0.614320 38.768801 46 12.147650 1.587948 7.023977 4.131353 0.623331 39.367923 47 12.120111 3.008494 7.096861 3.950016 0.635324 36.936387 48 13.358137 3.726978 7.063573 4.011809 0.613670 43.212681 49 13.342839 5.149960 7.077044 4.030940 0.639844 41.820708 50 14.583396 5.862060 7.033306 3.993422 0.606171 49.151192 51 14.592818 7.286298 6.999334 3.980379 0.626834 50.396902 52 15.830785 7.998346 6.956888 4.159775 0.618777 52.811880 53 15.840465 9.418265 6.924512 3.814941 0.622875 43.945922 54 17.080556 10.128608 6.897950 4.010917 0.613798 42.421762 55 19.560916 11.566294 6.895024 3.800171 0.600379 44.528210 56 20.794916 12.286777 6.929984 4.036776 0.651880 48.778914 57 13.394098 0.888769 6.980771 3.819110 0.596857 47.697127 58 14.629941 1.603676 7.006060 4.042598 0.653927 49.778187 59 14.609351 3.026287 7.029411 3.818913 0.612786 46.165240 60 15.849176 3.738963 7.028841 4.049862 0.641128 50.209521 61 15.830178 5.160458 7.020443 3.856560 0.625142 47.442687 62 17.064378 5.878006 6.992589 3.966873 0.623761 48.827208 63 17.068337 7.297835 6.952005 3.838398 0.620595 47.641382 64 18.303573 8.013178 6.911497 3.998485 0.618207 46.498883 65 18.315489 9.430840 6.891205 3.792316 0.610368 48.313083 66 19.551021 10.146029 6.883491 4.034686 0.604907 47.931698 67 9.691794 2.917224 7.405212 4.136834 0.581765 20.220025 68 7.288412 1.524033 7.042084 6.213416 0.783400 43.746399 69 5.958459 3.842681 7.234022 6.217230 0.773129 25.239294 70 8.385554 5.211336 7.065815 6.199553 0.759587 44.155104 71 7.975037 3.454693 8.150316 6.607895 0.749595 9.358281 72 8.418007 4.464959 9.419972 6.509474 0.721757 400.823436 73 7.631550 2.269321 9.324820 6.512427 0.746928 362.397661 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0000 VACUUM VOLUME: 0.0000 NUMBER OF ELECTRONS: 303.0000