# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 7.467048 1.437033 0.000000 10.045905 1.095360 25.987975 2 2.489014 1.437033 0.000000 10.022800 1.097367 25.582989 3 4.978034 1.437033 0.000000 10.010760 1.098687 25.914149 4 8.711558 3.592588 0.000000 10.015548 1.081816 25.730640 5 3.733524 3.592588 0.000000 10.048066 1.098687 25.791107 6 6.222545 3.592588 0.000000 10.017138 1.094915 25.598458 7 9.956065 5.748137 0.000000 10.022110 1.099567 25.651893 8 4.978031 5.748137 0.000000 10.013887 1.095360 25.673689 9 7.467052 5.748137 0.000000 10.046752 1.081816 25.907821 10 0.000000 0.000000 2.032264 9.949311 1.073301 10.688523 11 2.489014 0.000000 2.032264 9.974540 1.073770 10.777114 12 4.978034 0.000000 2.032264 9.980215 1.075519 10.799613 13 8.711555 2.155549 2.032264 9.998792 1.075121 10.870626 14 3.733520 2.155549 2.032264 9.954214 1.062840 10.694851 15 6.222541 2.155549 2.032264 9.993935 1.073752 10.852345 16 9.956065 4.311104 2.032264 9.990663 1.075519 10.838987 17 4.978031 4.311104 2.032264 9.977267 1.073752 10.786254 18 7.467052 4.311104 2.032264 9.952052 1.077365 10.673758 19 1.245604 0.718684 4.040635 10.008004 1.075764 10.848127 20 3.732871 0.717934 4.037877 9.976585 1.088248 10.722272 21 6.220294 0.718995 4.040856 9.999782 1.071509 10.815784 22 2.489021 2.871802 4.038179 10.004179 1.088306 10.829846 23 4.977318 2.872035 4.038381 10.005246 1.073205 10.832659 24 7.466436 2.876781 4.034617 9.976123 1.071146 10.696257 25 3.732859 5.025197 4.041138 9.978930 1.071035 10.734225 26 6.225312 5.026277 4.033972 10.001822 1.070526 10.798910 27 8.707803 5.026672 4.033550 10.006128 1.070892 10.811566 28 7.467223 1.435396 6.042706 9.993106 1.073123 10.904375 29 2.500337 1.444333 6.065814 10.021661 1.087042 11.027417 30 4.967170 1.443823 6.065633 10.000675 1.073117 10.952186 31 8.713429 3.591598 6.048543 9.987513 1.081102 10.890313 32 3.733920 3.578995 6.065290 10.031851 1.072565 11.070306 33 6.222538 3.591618 6.049227 10.012280 1.078391 10.984528 34 9.958443 5.749462 6.041458 9.997364 1.088700 10.913515 35 4.975529 5.749352 6.041458 10.027363 1.071572 11.037964 36 7.467582 5.749611 6.047416 10.016602 1.080293 11.007730 37 0.000567 0.000453 8.115489 10.992914 1.098412 25.680017 38 2.499598 0.015552 8.101339 10.982277 1.096464 20.861674 39 5.003568 0.015526 8.102345 11.001019 1.079089 20.866596 40 8.695519 2.156836 8.105546 10.994256 1.083580 21.391108 41 3.733658 2.155012 8.188980 10.823531 0.852103 11.599741 42 6.239499 2.156092 8.105103 10.982910 1.092055 20.856753 43 9.947497 4.324199 8.102808 10.978979 1.100126 21.013544 44 4.986633 4.324684 8.101721 10.996047 1.088771 21.192131 45 7.467466 4.310813 8.124547 11.002523 1.106063 25.805872 46 3.774757 2.108090 11.185424 7.394362 0.842388 57.623247 47 3.754910 2.129999 10.028952 2.788554 0.174751 12.477912 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0035 VACUUM VOLUME: 187.8978 NUMBER OF ELECTRONS: 469.0000