No title 1.0 9.74432000 0.00000000 0.00000000 0.00000000 9.74432000 0.00000000 0.00000000 0.00000000 23.42768000 Si O H B F 30 68 14 1 1 Selective dynamics Direct 0.12936001 0.12707095 0.38613678 F F F # 1 Si1 0.37502916 0.12096950 0.30727252 F F F # 2 Si2 0.30061299 0.08800799 0.60954293 T T T # 3 Si3 0.10173922 0.39451442 0.14979727 F F F # 4 Si4 0.09473506 0.37896852 0.46268817 F F F # 5 Si5 0.35277848 0.36785642 0.22875046 F F F # 6 Si6 0.34664843 0.34078124 0.53614084 T T T # 7 Si7 0.13016532 0.62819541 0.38209491 F F F # 8 Si8 0.38092200 0.62126540 0.30678303 F F F # 9 Si9 0.33503143 0.58786494 0.61742157 T T T # 10 Si30 0.11482588 0.89302910 0.14670428 F F F # 11 Si11 0.08959717 0.87300063 0.46368491 F F F # 12 Si12 0.36092991 0.86876015 0.22861580 F F F # 13 Si13 0.34769964 0.83949072 0.53967011 T T T # 14 Si14 0.62610530 0.17020636 0.38685071 F F F # 15 Si15 0.87077614 0.09591928 0.30832215 F F F # 16 Si16 0.81448438 0.12267084 0.61716114 T T T # 17 Si17 0.59797580 0.36601673 0.14865933 F F F # 18 Si18 0.60132886 0.42169615 0.46110653 F F F # 19 Si19 0.84821151 0.34456471 0.22960816 F F F # 20 Si20 0.84115134 0.35390067 0.53639597 T T T # 21 Si21 0.63348400 0.67583219 0.38526671 F F F # 22 Si22 0.87717359 0.60163606 0.30519621 F F F # 23 Si23 0.80774196 0.65000298 0.64927961 T T T # 24 Si24 0.60528239 0.86654234 0.14772172 F F F # 25 Si25 0.59134905 0.92188836 0.46334700 F F F # 26 Si26 0.85830910 0.84731633 0.22655655 F F F # 27 Si27 0.84280714 0.85501164 0.54496219 T T T # 28 Si28 0.96292449 0.38792948 0.65223283 T T T # 29 Si29 0.54301734 0.22132524 0.64565115 T T T # 30 Si10 0.07278184 0.01422776 0.10347441 F F F # 31 O1 0.08269641 0.02774648 0.43861071 F F F # 32 O2 0.30266803 0.23976772 0.26853675 F F F # 33 O3 0.28978509 0.18514406 0.55266406 T T T # 34 O4 0.15561173 0.26768700 0.10772360 F F F # 35 O5 0.15738147 0.27558061 0.41511175 F F F # 36 O6 0.41936805 0.48858713 0.26801417 F F F # 37 O7 0.36201158 0.43435680 0.59479190 T T T # 38 O8 0.46637980 0.30793384 0.18421408 F F F # 39 O9 0.44963902 0.37394445 0.48078337 F F F # 40 O10 0.22391306 0.43451777 0.19452908 F F F # 41 O11 0.20180098 0.40710227 0.51305907 T T T # 42 O12 0.26853760 0.06926821 0.35642250 F F F # 43 O13 0.15260941 0.06501616 0.64032791 T T T # 44 O29 0.01521115 0.14370917 0.33625456 F F F # 45 O14 0.89825787 0.22971603 0.65897261 T T T # 46 O15 0.05198622 0.51934634 0.10983762 F F F # 47 O16 0.07209763 0.52610229 0.43139521 F F F # 48 O17 0.30952091 0.74116691 0.26836029 F F F # 49 O18 0.38354866 0.68916245 0.56604132 T T T # 50 O19 0.16699990 0.76162831 0.10678214 F F F # 51 O20 0.14524289 0.77730060 0.41225328 F F F # 52 O21 0.42295244 0.99125844 0.26842785 F F F # 53 O22 0.37774011 0.94624731 0.59148836 T T T # 54 O23 0.47779752 0.80841372 0.18572168 F F F # 55 O24 0.44103873 0.86925215 0.48376608 F F F # 56 O25 0.23471872 0.93399348 0.19229974 F F F # 57 O26 0.18856500 0.85966048 0.51985974 T T T # 58 O27 0.27828143 0.57638095 0.35854998 F F F # 59 O28 0.02992778 0.64131874 0.32711390 F F F # 60 O30 0.91371349 0.53629909 0.67952541 T T T # 61 O31 0.55917099 0.98682644 0.10464310 F F F # 62 O32 0.57674831 0.07927366 0.44162964 F F F # 63 O33 0.81863636 0.19392961 0.25661864 F F F # 64 O34 0.78476604 0.20322044 0.55690734 T T T # 65 O35 0.65169796 0.23583937 0.10840622 F F F # 66 O36 0.66001516 0.32370644 0.41034090 F F F # 67 O37 0.88028318 0.44390359 0.28368792 F F F # 68 O38 0.92997658 0.42662028 0.58573753 T T T # 69 O39 0.97632229 0.32833722 0.18602470 F F F # 70 O40 0.94766171 0.32551065 0.48725507 F F F # 71 O41 0.71747125 0.40432689 0.19467880 F F F # 72 O42 0.70780106 0.43540454 0.51460754 T T T # 73 O43 0.76000818 0.09651907 0.35995853 F F F # 74 O44 0.66599059 0.10266578 0.64985386 T T T # 75 O45 0.50946416 0.18497435 0.33805227 F F F # 76 O46 0.39340778 0.15701077 0.66120802 T T T # 77 O47 0.55540340 0.48801949 0.10585039 F F F # 78 O48 0.58907222 0.57804410 0.43819954 F F F # 79 O49 0.82736107 0.69470825 0.25155969 F F F # 80 O50 0.84044095 0.71703981 0.58512741 T T T # 81 O51 0.65581385 0.73488705 0.10764237 F F F # 82 O52 0.64964688 0.82974203 0.41106208 F F F # 83 O53 0.89077156 0.94363133 0.28170435 F F F # 84 O54 0.88684837 0.97889403 0.59391673 T T T # 85 O55 0.98631004 0.83363935 0.18299732 F F F # 86 O56 0.93785770 0.82761878 0.48613885 F F F # 87 O57 0.72797815 0.90855618 0.19176448 F F F # 88 O58 0.69456130 0.90581696 0.51930867 T T T # 89 O59 0.77742389 0.62104417 0.35990818 F F F # 90 O60 0.66492562 0.56238166 0.64185196 T T T # 91 O61 0.52138949 0.68046478 0.33434763 F F F # 92 O62 0.43285721 0.58249499 0.67732978 T T T # 93 O63 0.57456154 0.35885627 0.68294709 T T T # 94 O 0.53188572 0.25213124 0.57578578 T T T # 95 O66 0.80134462 0.77133679 0.69703040 T T T # 96 O68 0.11928776 0.37299625 0.67607159 T T T # 97 O69 0.18813222 0.64718731 0.63851797 T T T # 98 O70 0.10436011 0.11108441 0.10758289 F F F # 99 H1 0.20093315 0.29683989 0.07286230 F F F # 100 H2 0.09714831 0.61112357 0.10987785 F F F # 101 H3 0.21124710 0.78715004 0.07118095 F F F # 102 H4 0.59356484 0.08295519 0.10836020 F F F # 103 H5 0.69030830 0.26308820 0.07190317 F F F # 104 H6 0.59383515 0.58265749 0.10863221 F F F # 105 H7 0.69579701 0.76082226 0.07122648 F F F # 106 H8 0.61273599 0.22124905 0.55403643 T T T # 107 H11 0.08086512 0.01059452 0.62189997 T T T # 108 H13 0.74228453 0.84955720 0.69019986 T T T # 109 H14 0.15255709 0.27869379 0.67903202 T T T # 110 H15 0.14083613 0.60053757 0.66963013 T T T # 111 H18 0.42787992 0.62773853 0.71646386 T T T # 112 H16 0.57292285 0.50429241 0.68190086 T T T # 113 B 0.55886906 0.57338381 0.75370032 T T T # 114 F