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 0.12965258 0.12697053 0.38593524 F F F # 1 Si1 0.37532173 0.12086908 0.30707098 F F F # 2 Si2 0.30081990 0.08812045 0.60948680 T T T # 3 Si3 0.10203179 0.39441400 0.14959573 F F F # 4 Si4 0.09502763 0.37886810 0.46248663 F F F # 5 Si5 0.35307105 0.36775600 0.22854892 F F F # 6 Si6 0.34660350 0.34156266 0.53595690 T T T # 7 Si7 0.13045789 0.62809499 0.38189337 F F F # 8 Si8 0.38121457 0.62116498 0.30658149 F F F # 9 Si9 0.33871895 0.58752521 0.61826119 T T T # 10 Si30 0.11511845 0.89292868 0.14650274 F F F # 11 Si11 0.08988974 0.87290021 0.46348337 F F F # 12 Si12 0.36122248 0.86865973 0.22841426 F F F # 13 Si13 0.34794008 0.83928174 0.53957593 T T T # 14 Si14 0.62639787 0.17010594 0.38664917 F F F # 15 Si15 0.87106871 0.09581886 0.30812061 F F F # 16 Si16 0.81539242 0.12254367 0.61719115 T T T # 17 Si17 0.59826837 0.36591631 0.14845779 F F F # 18 Si18 0.60162143 0.42159573 0.46090499 F F F # 19 Si19 0.84850408 0.34446429 0.22940662 F F F # 20 Si20 0.84164841 0.35386349 0.53629320 T T T # 21 Si21 0.63377657 0.67573177 0.38506517 F F F # 22 Si22 0.87746616 0.60153564 0.30499467 F F F # 23 Si23 0.80867796 0.64966149 0.64867008 T T T # 24 Si24 0.60557496 0.86644192 0.14752018 F F F # 25 Si25 0.59164162 0.92178794 0.46314546 F F F # 26 Si26 0.85860167 0.84721591 0.22635501 F F F # 27 Si27 0.84329906 0.85524665 0.54472281 T T T # 28 Si28 0.96362693 0.38801022 0.65217494 T T T # 29 Si29 0.54351494 0.21987821 0.64531358 T T T # 30 Si10 0.07307441 0.01412734 0.10327287 F F F # 31 O1 0.08298898 0.02764606 0.43840917 F F F # 32 O2 0.30296060 0.23966730 0.26833521 F F F # 33 O3 0.28973716 0.18572977 0.55264784 T T T # 34 O4 0.15590430 0.26758658 0.10752206 F F F # 35 O5 0.15767404 0.27548019 0.41491021 F F F # 36 O6 0.41966062 0.48848671 0.26781263 F F F # 37 O7 0.36257246 0.43382929 0.59396101 T T T # 38 O8 0.46667237 0.30783342 0.18401254 F F F # 39 O9 0.44993159 0.37384403 0.48058183 F F F # 40 O10 0.22420563 0.43441735 0.19432754 F F F # 41 O11 0.20161008 0.40744841 0.51287980 T T T # 42 O12 0.26883017 0.06916779 0.35622096 F F F # 43 O13 0.15296557 0.06518169 0.64029973 T T T # 44 O29 0.01550372 0.14360875 0.33605302 F F F # 45 O14 0.89895724 0.22971658 0.65897506 T T T # 46 O15 0.05227879 0.51924592 0.10963608 F F F # 47 O16 0.07239020 0.52600187 0.43119367 F F F # 48 O17 0.30981348 0.74106649 0.26815875 F F F # 49 O18 0.38344261 0.68962370 0.56610309 T T T # 50 O19 0.16729247 0.76152789 0.10658060 F F F # 51 O20 0.14553546 0.77720018 0.41205174 F F F # 52 O21 0.42324501 0.99115802 0.26822631 F F F # 53 O22 0.37815235 0.94699873 0.59121385 T T T # 54 O23 0.47809009 0.80831330 0.18552014 F F F # 55 O24 0.44133130 0.86915173 0.48356454 F F F # 56 O25 0.23501129 0.93389306 0.19209820 F F F # 57 O26 0.18873513 0.85975489 0.51972564 T T T # 58 O27 0.27857400 0.57628053 0.35834844 F F F # 59 O28 0.03022035 0.64121832 0.32691236 F F F # 60 O30 0.91269502 0.53588190 0.67956629 T T T # 61 O31 0.55946356 0.98672602 0.10444156 F F F # 62 O32 0.57704088 0.07917324 0.44142810 F F F # 63 O33 0.81892893 0.19382919 0.25641710 F F F # 64 O34 0.78550968 0.20319708 0.55699021 T T T # 65 O35 0.65199053 0.23573895 0.10820468 F F F # 66 O36 0.66030773 0.32360602 0.41013936 F F F # 67 O37 0.88057575 0.44380317 0.28348638 F F F # 68 O38 0.93053930 0.42664018 0.58567309 T T T # 69 O39 0.97661486 0.32823680 0.18582316 F F F # 70 O40 0.94795428 0.32541023 0.48705353 F F F # 71 O41 0.71776382 0.40422647 0.19447726 F F F # 72 O42 0.70809282 0.43508497 0.51453909 T T T # 73 O43 0.76030075 0.09641865 0.35975699 F F F # 74 O44 0.66692673 0.10245836 0.65005625 T T T # 75 O45 0.50975673 0.18487393 0.33785073 F F F # 76 O46 0.39391470 0.15697159 0.66119600 T T T # 77 O47 0.55569597 0.48791907 0.10564885 F F F # 78 O48 0.58936479 0.57794368 0.43799800 F F F # 79 O49 0.82765364 0.69460783 0.25135815 F F F # 80 O50 0.84181525 0.71720093 0.58501057 T T T # 81 O51 0.65610642 0.73478663 0.10744083 F F F # 82 O52 0.64993945 0.82964161 0.41086054 F F F # 83 O53 0.89106413 0.94353091 0.28150281 F F F # 84 O54 0.88737128 0.97880275 0.59384482 T T T # 85 O55 0.98660261 0.83353893 0.18279578 F F F # 86 O56 0.93815027 0.82751836 0.48593731 F F F # 87 O57 0.72827072 0.90845576 0.19156294 F F F # 88 O58 0.69490628 0.90567136 0.51923442 T T T # 89 O59 0.77771646 0.62094375 0.35970664 F F F # 90 O60 0.66720941 0.56135235 0.63992311 T T T # 91 O61 0.52168206 0.68036436 0.33414609 F F F # 92 O62 0.44097953 0.57722211 0.67469670 T T T # 93 O63 0.57558490 0.35953149 0.68213944 T T T # 94 O 0.53274550 0.25091133 0.57565196 T T T # 95 O66 0.79747216 0.76935739 0.69693496 T T T # 96 O68 0.11957747 0.37326981 0.67622225 T T T # 97 O69 0.19058263 0.64604046 0.63963777 T T T # 98 O70 0.10465268 0.11098399 0.10738135 F F F # 99 H1 0.20122572 0.29673947 0.07266076 F F F # 100 H2 0.09744088 0.61102315 0.10967631 F F F # 101 H3 0.21153967 0.78704962 0.07097941 F F F # 102 H4 0.59385741 0.08285477 0.10815866 F F F # 103 H5 0.69060087 0.26298778 0.07170163 F F F # 104 H6 0.59412772 0.58255707 0.10843067 F F F # 105 H7 0.69608958 0.76072184 0.07102494 F F F # 106 H8 0.61374319 0.22051180 0.55389166 T T T # 107 H11 0.08149710 0.01019992 0.62195848 T T T # 108 H13 0.73681520 0.84650719 0.69039407 T T T # 109 H14 0.15276221 0.27907457 0.67952968 T T T # 110 H15 0.14612691 0.59947409 0.67154606 T T T # 111 H18 0.44114148 0.62371228 0.73128896 T T T # 112 H16 0.56616888 0.49988061 0.67155262 T T T # 113 B 0.51083614 0.60204498 0.76344244 T T T # 114 F