# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.038611 1.305160 36.181545 2 2.892064 1.669734 0.000000 11.000032 1.305161 36.229628 3 5.784136 1.669734 0.000000 11.003236 1.305158 36.462594 4 10.122236 4.174342 0.000000 11.020996 1.305156 36.121271 5 4.338100 4.174342 0.000000 11.011989 1.305158 36.575691 6 7.230172 4.174342 0.000000 10.993238 1.305155 35.828709 7 11.568268 6.678943 0.000000 11.034124 1.305158 35.982440 8 5.784132 6.678943 0.000000 11.034489 1.305160 36.242495 9 8.676204 6.678943 0.000000 11.049978 1.305156 36.447695 10 0.000000 0.000000 2.361358 10.995828 1.280316 17.216472 11 2.892064 0.000000 2.361358 10.996259 1.280315 17.209700 12 5.784136 0.000000 2.361358 10.986912 1.280318 17.136559 13 1.446032 2.504601 2.361358 10.968129 1.280315 17.027525 14 4.338096 2.504601 2.361358 11.013615 1.280314 17.282163 15 7.230168 2.504601 2.361358 10.955254 1.280316 16.941518 16 2.892068 5.009209 2.361358 10.957851 1.280318 16.955062 17 5.784132 5.009209 2.361358 10.975277 1.280316 17.074254 18 8.676204 5.009209 2.361358 10.942858 1.280319 16.898852 19 1.448591 0.841344 4.738672 11.005173 1.290669 17.216472 20 4.337775 0.836430 4.731488 10.998400 1.285382 17.153490 21 7.226975 0.841269 4.737450 10.996494 1.289797 17.164325 22 2.889895 3.341857 4.730030 10.995331 1.283448 17.112179 23 5.784652 3.341820 4.730116 11.011130 1.285017 17.211054 24 8.675918 3.339280 4.735284 10.992953 1.287855 17.123015 25 4.337692 5.842784 4.733568 10.999744 1.286077 17.174484 26 7.227977 5.849261 4.738179 10.994945 1.289942 17.141300 27 10.122878 5.848374 4.738780 11.003975 1.288012 17.199541 28 8.674816 1.680501 7.114635 10.990565 1.293491 17.352595 29 2.900927 1.685024 7.118603 10.989527 1.302708 17.340404 30 5.774861 1.683229 7.118281 10.988162 1.292937 17.338373 31 10.122058 4.178422 7.101918 10.980606 1.294166 17.269973 32 4.336547 4.168241 7.109638 10.980108 1.302281 17.261169 33 7.227244 4.180030 7.100417 10.976104 1.307837 17.239498 34 11.570706 6.689673 7.100546 10.970329 1.289800 17.198187 35 5.779113 6.688959 7.101168 10.981947 1.295068 17.271327 36 8.674738 6.693415 7.107944 10.978560 1.294092 17.252365 37 0.022905 0.019010 9.533189 11.022256 1.289567 36.627160 38 2.882637 0.003569 9.501278 10.989012 1.310830 28.503142 39 5.797124 0.003937 9.501707 10.971233 1.314633 26.867638 40 1.470447 2.523130 9.522187 11.019292 1.288195 32.726331 41 4.336833 2.527916 9.600892 10.970624 1.122076 19.194653 42 7.230854 2.525880 9.519700 11.006467 1.309402 31.413187 43 2.932569 5.036409 9.494716 11.021486 1.271100 30.895108 44 5.790969 5.036439 9.497418 11.025446 1.314728 31.157873 45 8.674586 5.020007 9.523624 11.016739 1.311381 35.830741 46 4.402985 2.434948 11.768941 2.626825 0.090808 12.042455 47 4.560371 1.417563 12.399781 7.622043 0.896345 53.085137 48 4.275944 3.416665 12.292167 0.890623 0.247363 23.774064 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0052 VACUUM VOLUME: 246.1057 NUMBER OF ELECTRONS: 506.0000