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 0.12955506 0.12700400 0.38600242 F F F # 1 Si1 0.37522421 0.12090255 0.30713816 F F F # 2 Si2 0.30071256 0.08806486 0.60948809 T T T # 3 Si3 0.10193427 0.39444747 0.14966291 F F F # 4 Si4 0.09493011 0.37890157 0.46255381 F F F # 5 Si5 0.35297353 0.36778947 0.22861610 F F F # 6 Si6 0.34651255 0.34126212 0.53599225 T T T # 7 Si7 0.13036037 0.62812846 0.38196055 F F F # 8 Si8 0.38111705 0.62119845 0.30664867 F F F # 9 Si9 0.33726216 0.58763497 0.61788449 T T T # 10 Si30 0.11502093 0.89296215 0.14656992 F F F # 11 Si11 0.08979222 0.87293368 0.46355055 F F F # 12 Si12 0.36112496 0.86869320 0.22848144 F F F # 13 Si13 0.34785380 0.83936810 0.53960604 T T T # 14 Si14 0.62630035 0.17013941 0.38671635 F F F # 15 Si15 0.87097119 0.09585233 0.30818779 F F F # 16 Si16 0.81509209 0.12258733 0.61716995 T T T # 17 Si17 0.59817085 0.36594978 0.14852497 F F F # 18 Si18 0.60152391 0.42162920 0.46097217 F F F # 19 Si19 0.84840656 0.34449776 0.22947380 F F F # 20 Si20 0.84149797 0.35386634 0.53630768 T T T # 21 Si21 0.63367905 0.67576524 0.38513235 F F F # 22 Si22 0.87736864 0.60156911 0.30506185 F F F # 23 Si23 0.80860743 0.64991126 0.64889190 T T T # 24 Si24 0.60547744 0.86647539 0.14758736 F F F # 25 Si25 0.59154410 0.92182141 0.46321264 F F F # 26 Si26 0.85850415 0.84724938 0.22642219 F F F # 27 Si27 0.84313441 0.85519221 0.54478035 T T T # 28 Si28 0.96341904 0.38793990 0.65218882 T T T # 29 Si29 0.54330560 0.22026231 0.64541366 T T T # 30 Si10 0.07297689 0.01416081 0.10334005 F F F # 31 O1 0.08289146 0.02767953 0.43847635 F F F # 32 O2 0.30286308 0.23970077 0.26840239 F F F # 33 O3 0.28977763 0.18551995 0.55266549 T T T # 34 O4 0.15580678 0.26762005 0.10758924 F F F # 35 O5 0.15757652 0.27551366 0.41497739 F F F # 36 O6 0.41956310 0.48852018 0.26787981 F F F # 37 O7 0.36240667 0.43393288 0.59424950 T T T # 38 O8 0.46657485 0.30786689 0.18407972 F F F # 39 O9 0.44983407 0.37387750 0.48064901 F F F # 40 O10 0.22410811 0.43445082 0.19439472 F F F # 41 O11 0.20167394 0.40733255 0.51294297 T T T # 42 O12 0.26873265 0.06920126 0.35628814 F F F # 43 O13 0.15284733 0.06513155 0.64031705 T T T # 44 O29 0.01540620 0.14364222 0.33612020 F F F # 45 O14 0.89866540 0.22971834 0.65897527 T T T # 46 O15 0.05218127 0.51927939 0.10970326 F F F # 47 O16 0.07229268 0.52603534 0.43126085 F F F # 48 O17 0.30971596 0.74109996 0.26822593 F F F # 49 O18 0.38349192 0.68945960 0.56607152 T T T # 50 O19 0.16719495 0.76156136 0.10664778 F F F # 51 O20 0.14543794 0.77723365 0.41211892 F F F # 52 O21 0.42314749 0.99119149 0.26829349 F F F # 53 O22 0.37801178 0.94671773 0.59132606 T T T # 54 O23 0.47799257 0.80834677 0.18558732 F F F # 55 O24 0.44123378 0.86918520 0.48363172 F F F # 56 O25 0.23491377 0.93392653 0.19216538 F F F # 57 O26 0.18866541 0.85971958 0.51978533 T T T # 58 O27 0.27847648 0.57631400 0.35841562 F F F # 59 O28 0.03012283 0.64125179 0.32697954 F F F # 60 O30 0.91297303 0.53603959 0.67954718 T T T # 61 O31 0.55936604 0.98675949 0.10450874 F F F # 62 O32 0.57694336 0.07920671 0.44149528 F F F # 63 O33 0.81883141 0.19386266 0.25648428 F F F # 64 O34 0.78522884 0.20321299 0.55696516 T T T # 65 O35 0.65189301 0.23577242 0.10827186 F F F # 66 O36 0.66021021 0.32363949 0.41020654 F F F # 67 O37 0.88047823 0.44383664 0.28355356 F F F # 68 O38 0.93028432 0.42664529 0.58570217 T T T # 69 O39 0.97651734 0.32827027 0.18589034 F F F # 70 O40 0.94785676 0.32544370 0.48712071 F F F # 71 O41 0.71766630 0.40425994 0.19454444 F F F # 72 O42 0.70798855 0.43521304 0.51458795 T T T # 73 O43 0.76020323 0.09645212 0.35982417 F F F # 74 O44 0.66659030 0.10258184 0.64999609 T T T # 75 O45 0.50965921 0.18490740 0.33791791 F F F # 76 O46 0.39373000 0.15702116 0.66121555 T T T # 77 O47 0.55559845 0.48795254 0.10571603 F F F # 78 O48 0.58926727 0.57797715 0.43806518 F F F # 79 O49 0.82755612 0.69464130 0.25142533 F F F # 80 O50 0.84125654 0.71711141 0.58506305 T T T # 81 O51 0.65600890 0.73482010 0.10750801 F F F # 82 O52 0.64984193 0.82967508 0.41092772 F F F # 83 O53 0.89096661 0.94356438 0.28156999 F F F # 84 O54 0.88716146 0.97880676 0.59387735 T T T # 85 O55 0.98650509 0.83357240 0.18286296 F F F # 86 O56 0.93805275 0.82755183 0.48600449 F F F # 87 O57 0.72817320 0.90848923 0.19163012 F F F # 88 O58 0.69478601 0.90571766 0.51927874 T T T # 89 O59 0.77761894 0.62097722 0.35977382 F F F # 90 O60 0.66625133 0.56180536 0.64075734 T T T # 91 O61 0.52158454 0.68039783 0.33421327 F F F # 92 O62 0.43765833 0.57969479 0.67605973 T T T # 93 O63 0.57519884 0.35949290 0.68252409 T T T # 94 O 0.53250002 0.25140508 0.57573301 T T T # 95 O66 0.79886576 0.77008418 0.69697370 T T T # 96 O68 0.11946804 0.37316836 0.67616752 T T T # 97 O69 0.18970448 0.64646433 0.63921873 T T T # 98 O70 0.10455516 0.11101746 0.10744853 F F F # 99 H1 0.20112820 0.29677294 0.07272794 F F F # 100 H2 0.09734336 0.61105662 0.10974349 F F F # 101 H3 0.21144215 0.78708309 0.07104659 F F F # 102 H4 0.59375989 0.08288824 0.10822584 F F F # 103 H5 0.69050335 0.26302125 0.07176881 F F F # 104 H6 0.59403020 0.58259054 0.10849785 F F F # 105 H7 0.69599206 0.76075531 0.07109212 F F F # 106 H8 0.61337257 0.22079299 0.55394814 T T T # 107 H11 0.08127534 0.01034720 0.62193647 T T T # 108 H13 0.73884723 0.84764302 0.69033436 T T T # 109 H14 0.15268264 0.27894012 0.67934606 T T T # 110 H15 0.14416898 0.59986519 0.67083984 T T T # 111 H18 0.43891646 0.62326853 0.72525659 T T T # 112 H16 0.56790943 0.50101559 0.67456724 T T T # 113 B 0.52708564 0.59311086 0.76063355 T T T # 114 F