No title 1.0 7.66310000 0.00000000 0.00000000 0.00000000 25.32620000 0.00000000 0.00000000 0.00000000 10.83726000 Si O Cl H 40 15 4 16 Selective dynamics Direct 0.73870406 0.31728517 0.84008684 T T T # 1 Si1 0.20174673 0.04189209 0.32137296 T T T # 2 Si2 0.01935895 0.39130615 0.81998618 T T T # 3 Si3 0.87203108 0.92436433 0.11072711 T T T # 4 Si4 0.00255386 0.23859816 0.43333025 F F F # 5 Si5 0.25255386 0.23859816 0.31834485 F F F # 6 Si6 0.00255386 0.31151552 0.06394739 F F F # 7 Si7 0.25255386 0.31151552 0.18772771 F F F # 8 Si8 0.00255386 0.38801965 0.43755984 F F F # 9 Si9 0.25255386 0.38801965 0.31411526 F F F # 10 Si10 0.86147040 0.24745960 0.37824324 T T T # 11 Si11 0.52213958 0.45177347 0.36223293 T T T # 12 Si12 0.60092693 0.99170425 0.29181920 T T T # 13 Si13 0.02135954 0.38360117 0.45399345 T T T # 14 Si14 0.25255386 0.23859816 0.81834485 F F F # 15 Si15 0.00255386 0.31151552 0.56394739 F F F # 16 Si16 0.25255386 0.31151552 0.68772771 F F F # 17 Si17 0.00255386 0.38801965 0.93755984 F F F # 18 Si18 0.25255386 0.38801965 0.81411526 F F F # 19 Si19 0.36285788 0.55027300 0.08543283 T T T # 20 Si20 0.79473908 0.53393449 0.96705713 T T T # 21 Si21 0.16622544 0.54068755 0.41108187 T T T # 22 Si22 0.32257347 0.83877176 0.05613530 T T T # 23 Si23 0.50255386 0.23859816 0.43333025 F F F # 24 Si24 0.75255386 0.23859816 0.31834485 F F F # 25 Si25 0.50255386 0.31151552 0.06394739 F F F # 26 Si26 0.75255386 0.31151552 0.18772771 F F F # 27 Si27 0.50255386 0.38801965 0.43755984 F F F # 28 Si28 0.75255386 0.38801965 0.31411526 F F F # 29 Si29 0.46736265 0.58755117 0.43362464 T T T # 30 Si30 0.65048110 0.36038626 0.00173534 T T T # 31 Si31 0.35917589 0.67777066 0.34129512 T T T # 32 Si32 0.51145033 0.23711925 0.69833938 T T T # 33 Si33 0.50255386 0.23859816 0.93333025 F F F # 34 Si34 0.75255386 0.23859816 0.81834485 F F F # 35 Si35 0.75255386 0.31151552 0.68772771 F F F # 36 Si36 0.50255386 0.38801965 0.93755984 F F F # 37 Si37 0.75255386 0.38801965 0.81411526 F F F # 38 Si38 0.45334807 0.90103820 0.18887299 T T T # 39 Si39 0.37700802 0.34246598 0.52232502 T T T # 40 Si40 0.76236632 0.17197672 0.56011898 T T T # 41 O1 0.74824461 0.36207538 0.90341515 T T T # 42 O2 0.35719885 0.71328751 0.12126783 T T T # 43 O3 0.48249262 0.23134127 0.49088786 T T T # 44 O7 0.25787944 0.07947349 0.08023136 T T T # 45 O12 0.55752426 0.33463720 0.74672541 T T T # 46 O18 0.64369969 0.72729816 0.11390013 T T T # 47 O25 0.97299155 0.81103254 0.11407757 T T T # 48 O33 0.48155143 0.52922299 0.71794161 T T T # 49 O11 0.31903229 0.88902731 0.70691531 T T T # 50 O23 0.28338878 0.15243719 0.07094142 T T T # 51 O36 0.12222037 0.68727700 0.81420731 T T T # 52 O50 0.39720335 0.86792739 0.19547212 T T T # 53 O65 0.91297437 0.01288603 0.90132193 T T T # 54 O81 0.58330083 0.74503685 0.52082601 T T T # 55 O98 0.77383315 0.45158745 0.96987110 T T T # 56 Cl 0.56576526 0.39942252 0.45086658 T T T # 57 Cl4 0.60095726 0.03459933 0.44661621 T T T # 58 Cl2 0.64872947 0.90527865 0.18546711 T T T # 59 Cl3 0.87301350 0.34398119 0.76116211 T T T # 60 H11 0.36316378 0.59961022 0.95602837 T T T # 61 H19 0.30397119 0.83072139 0.76418222 T T T # 62 H28 0.36655613 0.50384825 0.31510657 T T T # 63 H38 0.53107651 0.74698498 0.59491097 T T T # 64 H49 0.15244174 0.47597040 0.76468726 T T T # 65 H61 0.89133944 0.31464960 0.29263400 T T T # 66 H12 0.11089702 0.67516566 0.45987686 T T T # 67 H8 0.10729517 0.39073824 0.27818940 T T T # 68 H9 0.12838479 0.57749513 0.60064853 T T T # 69 H20 0.64868235 0.51221117 0.70066528 T T T # 70 H31 0.54722119 0.44172808 0.90958171 T T T # 71 H43 0.67465252 0.48911952 0.60786778 T T T # 72 H56 0.31230564 0.67516294 0.35406222 T T T # 73 H70 0.79204514 0.80449891 0.84513047 T T T # 74 H85 0.34260779 0.85693236 0.56387280 T T T # 75 H16