# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.014906 1.305160 35.989889 2 2.892064 1.669734 0.000000 11.043903 1.305161 36.753124 3 5.784136 1.669734 0.000000 10.990130 1.305158 35.718321 4 10.122236 4.174342 0.000000 11.016395 1.305156 35.882887 5 4.338100 4.174342 0.000000 11.026547 1.305158 36.262812 6 7.230172 4.174342 0.000000 11.048287 1.305155 37.171651 7 11.568268 6.678943 0.000000 11.024738 1.305158 36.542507 8 5.784132 6.678943 0.000000 11.001450 1.305160 36.219469 9 8.676204 6.678943 0.000000 10.991535 1.305156 36.157164 10 0.000000 0.000000 2.361358 10.976181 1.274508 17.092539 11 2.892064 0.000000 2.361358 10.996785 1.280315 17.141300 12 5.784136 0.000000 2.361358 10.964859 1.280318 17.022785 13 1.446032 2.504601 2.361358 11.023434 1.280315 17.313315 14 4.338096 2.504601 2.361358 11.013039 1.280314 17.316024 15 7.230168 2.504601 2.361358 10.939836 1.280316 16.857541 16 2.892068 5.009209 2.361358 10.979909 1.280318 17.130464 17 5.784132 5.009209 2.361358 10.980046 1.264858 17.071545 18 8.676204 5.009209 2.361358 10.966429 1.280319 16.957094 19 1.424337 0.823544 4.707169 10.994170 1.281209 17.173807 20 4.316344 0.803955 4.755915 11.004748 1.282726 17.437925 21 7.191585 0.779130 4.757695 10.995190 1.263961 17.448084 22 2.877826 3.305024 4.774829 10.997946 1.297911 17.425735 23 5.750256 3.298007 4.720551 10.984725 1.256593 17.275391 24 8.661850 3.308436 4.715533 11.012134 1.286435 17.293676 25 4.283683 5.800241 4.743219 10.992256 1.248390 17.397292 26 7.207588 5.811677 4.701915 10.997607 1.270724 17.139268 27 10.094524 5.809032 4.755207 10.994563 1.306170 17.376975 28 8.613666 1.575323 7.082875 11.036914 1.232036 22.450762 29 2.839690 1.610908 7.216115 10.972879 1.308396 28.404944 30 5.731584 1.610390 7.217616 11.040531 1.303028 23.424614 31 10.115143 4.099542 7.157869 11.043564 1.233261 19.932153 32 4.317117 4.112887 7.246868 11.004801 1.288693 23.711081 33 7.169148 4.136645 7.017809 11.008575 1.239100 16.783046 34 11.456974 6.585614 7.273975 11.006403 1.280570 27.123630 35 5.676695 6.674269 7.013777 11.076599 1.230493 21.614386 36 8.597871 6.659234 7.144809 11.050306 1.270679 20.046605 37 6.071318 3.295918 9.284100 10.802582 0.911130 27.979645 38 8.523521 3.197089 9.063147 10.825134 1.088195 33.516655 39 6.867737 5.806424 9.085000 10.773045 0.861758 28.268144 40 9.533443 5.481700 9.313502 10.698301 0.855813 34.672005 41 7.316748 5.010231 10.789828 3.310852 0.272425 17.938396 42 6.273188 4.072124 11.174302 3.268417 0.288817 15.515954 43 8.574151 4.961759 11.042541 7.144143 0.767600 40.991213 44 5.340344 3.960597 11.933278 6.959955 0.629984 58.676326 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0052 VACUUM VOLUME: 300.4390 NUMBER OF ELECTRONS: 460.0000