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 0.12945753 0.12703748 0.38606960 F F F # 1 Si1 0.37512668 0.12093603 0.30720534 F F F # 2 Si2 0.30064950 0.08802338 0.60950840 T T T # 3 Si3 0.10183674 0.39448095 0.14973009 F F F # 4 Si4 0.09483258 0.37893505 0.46262099 F F F # 5 Si5 0.35287600 0.36782295 0.22868328 F F F # 6 Si6 0.34655705 0.34101661 0.53602197 T T T # 7 Si7 0.13026284 0.62816194 0.38202773 F F F # 8 Si8 0.38101952 0.62123193 0.30671585 F F F # 9 Si9 0.33594512 0.58779103 0.61757088 T T T # 10 Si30 0.11492340 0.89299563 0.14663710 F F F # 11 Si11 0.08969469 0.87296716 0.46361773 F F F # 12 Si12 0.36102743 0.86872668 0.22854862 F F F # 13 Si13 0.34776695 0.83947005 0.53960756 T T T # 14 Si14 0.62620282 0.17017289 0.38678353 F F F # 15 Si15 0.87087366 0.09588581 0.30825497 F F F # 16 Si16 0.81482868 0.12262130 0.61715884 T T T # 17 Si17 0.59807332 0.36598326 0.14859215 F F F # 18 Si18 0.60142638 0.42166268 0.46103935 F F F # 19 Si19 0.84830903 0.34453124 0.22954098 F F F # 20 Si20 0.84133268 0.35388278 0.53633229 T T T # 21 Si21 0.63358152 0.67579872 0.38519953 F F F # 22 Si22 0.87727111 0.60160259 0.30512903 F F F # 23 Si23 0.80823340 0.64995117 0.64906739 T T T # 24 Si24 0.60537991 0.86650887 0.14765454 F F F # 25 Si25 0.59144657 0.92185489 0.46327982 F F F # 26 Si26 0.85840662 0.84728286 0.22648937 F F F # 27 Si27 0.84298372 0.85511217 0.54484245 T T T # 28 Si28 0.96316646 0.38793352 0.65220564 T T T # 29 Si29 0.54319093 0.22072295 0.64552236 T T T # 30 Si10 0.07287936 0.01419429 0.10340723 F F F # 31 O1 0.08279393 0.02771301 0.43854353 F F F # 32 O2 0.30276555 0.23973425 0.26846957 F F F # 33 O3 0.28979366 0.18536798 0.55267533 T T T # 34 O4 0.15570925 0.26765353 0.10765642 F F F # 35 O5 0.15747899 0.27554714 0.41504457 F F F # 36 O6 0.41946557 0.48855366 0.26794699 F F F # 37 O7 0.36228164 0.43419809 0.59455090 T T T # 38 O8 0.46647732 0.30790037 0.18414690 F F F # 39 O9 0.44973654 0.37391098 0.48071619 F F F # 40 O10 0.22401058 0.43448430 0.19446190 F F F # 41 O11 0.20175971 0.40721923 0.51301642 T T T # 42 O12 0.26863512 0.06923474 0.35635532 F F F # 43 O13 0.15274702 0.06508098 0.64032240 T T T # 44 O29 0.01530867 0.14367570 0.33618738 F F F # 45 O14 0.89846504 0.22971633 0.65897567 T T T # 46 O15 0.05208374 0.51931287 0.10977044 F F F # 47 O16 0.07219515 0.52606882 0.43132803 F F F # 48 O17 0.30961843 0.74113344 0.26829311 F F F # 49 O18 0.38353956 0.68929176 0.56607742 T T T # 50 O19 0.16709742 0.76159484 0.10671496 F F F # 51 O20 0.14534041 0.77726713 0.41218610 F F F # 52 O21 0.42304996 0.99122497 0.26836067 F F F # 53 O22 0.37788492 0.94648946 0.59140994 T T T # 54 O23 0.47789504 0.80838025 0.18565450 F F F # 55 O24 0.44113625 0.86921868 0.48369890 F F F # 56 O25 0.23481624 0.93396001 0.19223256 F F F # 57 O26 0.18863253 0.85968336 0.51984009 T T T # 58 O27 0.27837895 0.57634748 0.35848280 F F F # 59 O28 0.03002530 0.64128527 0.32704672 F F F # 60 O30 0.91331202 0.53615520 0.67953557 T T T # 61 O31 0.55926851 0.98679297 0.10457592 F F F # 62 O32 0.57684583 0.07924019 0.44156246 F F F # 63 O33 0.81873388 0.19389614 0.25655146 F F F # 64 O34 0.78500338 0.20321588 0.55694552 T T T # 65 O35 0.65179548 0.23580590 0.10833904 F F F # 66 O36 0.66011268 0.32367297 0.41027372 F F F # 67 O37 0.88038070 0.44387012 0.28362074 F F F # 68 O38 0.93012812 0.42663599 0.58572158 T T T # 69 O39 0.97641981 0.32830375 0.18595752 F F F # 70 O40 0.94775923 0.32547718 0.48718789 F F F # 71 O41 0.71756877 0.40429342 0.19461162 F F F # 72 O42 0.70789848 0.43530496 0.51461415 T T T # 73 O43 0.76010570 0.09648560 0.35989135 F F F # 74 O44 0.66630632 0.10264481 0.64993755 T T T # 75 O45 0.50956168 0.18494088 0.33798509 F F F # 76 O46 0.39357085 0.15703078 0.66121261 T T T # 77 O47 0.55550092 0.48798602 0.10578321 F F F # 78 O48 0.58916974 0.57801063 0.43813236 F F F # 79 O49 0.82745859 0.69467478 0.25149251 F F F # 80 O50 0.84085866 0.71706655 0.58510142 T T T # 81 O51 0.65591137 0.73485358 0.10757519 F F F # 82 O52 0.64974440 0.82970856 0.41099490 F F F # 83 O53 0.89086908 0.94359786 0.28163717 F F F # 84 O54 0.88701045 0.97884359 0.59390360 T T T # 85 O55 0.98640756 0.83360588 0.18293014 F F F # 86 O56 0.93795522 0.82758531 0.48607167 F F F # 87 O57 0.72807567 0.90852271 0.19169730 F F F # 88 O58 0.69468201 0.90576012 0.51930863 T T T # 89 O59 0.77752141 0.62101070 0.35984100 F F F # 90 O60 0.66544065 0.56213389 0.64137378 T T T # 91 O61 0.52148701 0.68043131 0.33428045 F F F # 92 O62 0.43490672 0.58190342 0.67731170 T T T # 93 O63 0.57480781 0.35931236 0.68276594 T T T # 94 O 0.53222102 0.25176999 0.57577131 T T T # 95 O66 0.80002753 0.77068847 0.69700772 T T T # 96 O68 0.11939803 0.37309079 0.67612125 T T T # 97 O69 0.18896015 0.64681617 0.63889273 T T T # 98 O70 0.10445763 0.11105094 0.10751571 F F F # 99 H1 0.20103067 0.29680642 0.07279512 F F F # 100 H2 0.09724583 0.61109010 0.10981067 F F F # 101 H3 0.21134462 0.78711657 0.07111377 F F F # 102 H4 0.59366236 0.08292172 0.10829302 F F F # 103 H5 0.69040582 0.26305473 0.07183599 F F F # 104 H6 0.59393267 0.58262402 0.10856503 F F F # 105 H7 0.69589453 0.76078879 0.07115930 F F F # 106 H8 0.61307664 0.22101421 0.55398796 T T T # 107 H11 0.08108039 0.01046660 0.62191766 T T T # 108 H13 0.74047958 0.84855128 0.69027439 T T T # 109 H14 0.15261909 0.27882500 0.67919797 T T T # 110 H15 0.14256630 0.60017620 0.67026847 T T T # 111 H18 0.43354184 0.62443538 0.71979644 T T T # 112 H16 0.57024345 0.50242617 0.67786090 T T T # 113 B 0.54326901 0.58368541 0.75802899 T T T # 114 F