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 0.12984764 0.12690357 0.38580088 F F F # 1 Si1 0.37551679 0.12080212 0.30693662 F F F # 2 Si2 0.30113186 0.08842268 0.60945477 T T T # 3 Si3 0.10222685 0.39434704 0.14946137 F F F # 4 Si4 0.09522269 0.37880114 0.46235227 F F F # 5 Si5 0.35326611 0.36768904 0.22841456 F F F # 6 Si6 0.34665783 0.34199896 0.53574363 T T T # 7 Si7 0.13065295 0.62802803 0.38175901 F F F # 8 Si8 0.38140963 0.62109802 0.30644713 F F F # 9 Si9 0.34076482 0.58784245 0.61873350 T T T # 10 Si30 0.11531351 0.89286172 0.14636838 F F F # 11 Si11 0.09008480 0.87283325 0.46334901 F F F # 12 Si12 0.36141754 0.86859277 0.22827990 F F F # 13 Si13 0.34819959 0.83942584 0.53947554 T T T # 14 Si14 0.62659293 0.17003898 0.38651481 F F F # 15 Si15 0.87126377 0.09575190 0.30798625 F F F # 16 Si16 0.81626750 0.12240314 0.61725311 T T T # 17 Si17 0.59846343 0.36584935 0.14832343 F F F # 18 Si18 0.60181649 0.42152877 0.46077063 F F F # 19 Si19 0.84869914 0.34439733 0.22927226 F F F # 20 Si20 0.84206481 0.35387869 0.53627954 T T T # 21 Si21 0.63397163 0.67566481 0.38493081 F F F # 22 Si22 0.87766122 0.60146868 0.30486031 F F F # 23 Si23 0.80835801 0.64877989 0.64811022 T T T # 24 Si24 0.60577002 0.86637496 0.14738582 F F F # 25 Si25 0.59183668 0.92172098 0.46301110 F F F # 26 Si26 0.85879673 0.84714895 0.22622065 F F F # 27 Si27 0.84376323 0.85537412 0.54461110 T T T # 28 Si28 0.96406081 0.38817786 0.65216409 T T T # 29 Si29 0.54426767 0.21895300 0.64504857 T T T # 30 Si10 0.07326947 0.01406038 0.10313851 F F F # 31 O1 0.08318404 0.02757910 0.43827481 F F F # 32 O2 0.30315566 0.23960034 0.26820085 F F F # 33 O3 0.28966005 0.18639420 0.55265149 T T T # 34 O4 0.15609936 0.26751962 0.10738770 F F F # 35 O5 0.15786910 0.27541323 0.41477585 F F F # 36 O6 0.41985568 0.48841975 0.26767827 F F F # 37 O7 0.36357009 0.43442289 0.59360172 T T T # 38 O8 0.46686743 0.30776646 0.18387818 F F F # 39 O9 0.45012665 0.37377707 0.48044747 F F F # 40 O10 0.22440069 0.43435039 0.19419318 F F F # 41 O11 0.20163112 0.40792423 0.51275674 T T T # 42 O12 0.26902523 0.06910083 0.35608660 F F F # 43 O13 0.15334310 0.06526535 0.64026708 T T T # 44 O29 0.01569878 0.14354179 0.33591866 F F F # 45 O14 0.89982770 0.22969869 0.65897077 T T T # 46 O15 0.05247385 0.51917896 0.10950172 F F F # 47 O16 0.07258526 0.52593491 0.43105931 F F F # 48 O17 0.31000854 0.74099953 0.26802439 F F F # 49 O18 0.38348982 0.69001061 0.56631133 T T T # 50 O19 0.16748753 0.76146093 0.10644624 F F F # 51 O20 0.14573052 0.77713322 0.41191738 F F F # 52 O21 0.42344007 0.99109106 0.26809195 F F F # 53 O22 0.37856029 0.94756054 0.59091635 T T T # 54 O23 0.47828515 0.80824634 0.18538578 F F F # 55 O24 0.44152636 0.86908477 0.48343018 F F F # 56 O25 0.23520635 0.93382610 0.19196384 F F F # 57 O26 0.18898986 0.85975824 0.51959184 T T T # 58 O27 0.27876906 0.57621357 0.35821408 F F F # 59 O28 0.03041541 0.64115136 0.32677800 F F F # 60 O30 0.91198481 0.53546371 0.67960326 T T T # 61 O31 0.55965862 0.98665906 0.10430720 F F F # 62 O32 0.57723594 0.07910628 0.44129374 F F F # 63 O33 0.81912399 0.19376223 0.25628274 F F F # 64 O34 0.78632458 0.20317348 0.55705262 T T T # 65 O35 0.65218559 0.23567199 0.10807032 F F F # 66 O36 0.66050279 0.32353906 0.41000500 F F F # 67 O37 0.88077081 0.44373621 0.28335202 F F F # 68 O38 0.93129098 0.42661965 0.58557240 T T T # 69 O39 0.97680992 0.32816984 0.18568880 F F F # 70 O40 0.94814934 0.32534327 0.48691917 F F F # 71 O41 0.71795888 0.40415951 0.19434290 F F F # 72 O42 0.70834486 0.43473107 0.51439094 T T T # 73 O43 0.76049581 0.09635169 0.35962263 F F F # 74 O44 0.66795633 0.10204150 0.65022277 T T T # 75 O45 0.50995179 0.18480697 0.33771637 F F F # 76 O46 0.39442487 0.15679421 0.66113139 T T T # 77 O47 0.55589103 0.48785211 0.10551449 F F F # 78 O48 0.58955985 0.57787672 0.43786364 F F F # 79 O49 0.82784870 0.69454087 0.25122379 F F F # 80 O50 0.84345634 0.71753230 0.58486728 T T T # 81 O51 0.65630148 0.73471967 0.10730647 F F F # 82 O52 0.65013451 0.82957465 0.41072618 F F F # 83 O53 0.89125919 0.94346395 0.28136845 F F F # 84 O54 0.88798507 0.97874979 0.59374055 T T T # 85 O55 0.98679767 0.83347197 0.18266142 F F F # 86 O56 0.93834533 0.82745140 0.48580295 F F F # 87 O57 0.72846578 0.90838880 0.19142858 F F F # 88 O58 0.69518438 0.90553219 0.51910511 T T T # 89 O59 0.77791152 0.62087679 0.35957228 F F F # 90 O60 0.66877240 0.55999761 0.63738821 T T T # 91 O61 0.52187712 0.68029740 0.33401173 F F F # 92 O62 0.44630269 0.57553529 0.67419904 T T T # 93 O63 0.57603587 0.35948516 0.68077531 T T T # 94 O 0.53337340 0.24952731 0.57537769 T T T # 95 O66 0.79352612 0.76731037 0.69681966 T T T # 96 O68 0.11996484 0.37362202 0.67638383 T T T # 97 O69 0.19294297 0.64490966 0.64092139 T T T # 98 O70 0.10484774 0.11091703 0.10724699 F F F # 99 H1 0.20142078 0.29667251 0.07252640 F F F # 100 H2 0.09763594 0.61095619 0.10954195 F F F # 101 H3 0.21173473 0.78698266 0.07084505 F F F # 102 H4 0.59405247 0.08278781 0.10802430 F F F # 103 H5 0.69079593 0.26292082 0.07156727 F F F # 104 H6 0.59432278 0.58249011 0.10829631 F F F # 105 H7 0.69628464 0.76065488 0.07089058 F F F # 106 H8 0.61477336 0.21973916 0.55372798 T T T # 107 H11 0.08212317 0.00981366 0.62202114 T T T # 108 H13 0.73105751 0.84328846 0.69054238 T T T # 109 H14 0.15296787 0.27942279 0.68004514 T T T # 110 H15 0.15154660 0.59835031 0.67353971 T T T # 111 H18 0.43566524 0.62446308 0.73817359 T T T # 112 H16 0.56545683 0.49775838 0.66670186 T T T # 113 B 0.47974163 0.62027373 0.77502496 T T T # 114 F