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 0.12916495 0.12713791 0.38627114 F F F # 1 Si1 0.37483410 0.12103646 0.30740688 F F F # 2 Si2 0.30051861 0.08768244 0.60974830 T T T # 3 Si3 0.10154416 0.39458138 0.14993163 F F F # 4 Si4 0.09454000 0.37903548 0.46282253 F F F # 5 Si5 0.35258342 0.36792338 0.22888482 F F F # 6 Si6 0.34764729 0.34053689 0.53644576 T T T # 7 Si7 0.12997026 0.62826237 0.38222927 F F F # 8 Si8 0.38072694 0.62133236 0.30691739 F F F # 9 Si9 0.33348168 0.58760572 0.61705097 T T T # 10 Si30 0.11463082 0.89309606 0.14683864 F F F # 11 Si11 0.08940211 0.87306759 0.46381927 F F F # 12 Si12 0.36073485 0.86882711 0.22875016 F F F # 13 Si13 0.34747560 0.83928191 0.53966720 T T T # 14 Si14 0.62591024 0.17027332 0.38698507 F F F # 15 Si15 0.87058108 0.09598624 0.30845651 F F F # 16 Si16 0.81359008 0.12271931 0.61710876 T T T # 17 Si17 0.59778074 0.36608369 0.14879369 F F F # 18 Si18 0.60113380 0.42176311 0.46124089 F F F # 19 Si19 0.84801645 0.34463167 0.22974252 F F F # 20 Si20 0.84056132 0.35398207 0.53648992 T T T # 21 Si21 0.63328894 0.67589915 0.38540107 F F F # 22 Si22 0.87697853 0.60170302 0.30533057 F F F # 23 Si23 0.80665807 0.65019113 0.64964487 T T T # 24 Si24 0.60508733 0.86660930 0.14785608 F F F # 25 Si25 0.59115399 0.92195532 0.46348136 F F F # 26 Si26 0.85811404 0.84738329 0.22669091 F F F # 27 Si27 0.84229159 0.85476022 0.54510743 T T T # 28 Si28 0.96235846 0.38789227 0.65227605 T T T # 29 Si29 0.54253819 0.22259756 0.64595960 T T T # 30 Si10 0.07258678 0.01429472 0.10360877 F F F # 31 O1 0.08250135 0.02781344 0.43874507 F F F # 32 O2 0.30247297 0.23983468 0.26867111 F F F # 33 O3 0.28968427 0.18466552 0.55255849 T T T # 34 O4 0.15541667 0.26775396 0.10785796 F F F # 35 O5 0.15718641 0.27564757 0.41524611 F F F # 36 O6 0.41917299 0.48865409 0.26814853 F F F # 37 O7 0.36085061 0.43398768 0.59509118 T T T # 38 O8 0.46618474 0.30800080 0.18434844 F F F # 39 O9 0.44944396 0.37401141 0.48091773 F F F # 40 O10 0.22371800 0.43458473 0.19466344 F F F # 41 O11 0.20186204 0.40660400 0.51329798 T T T # 42 O12 0.26834254 0.06933517 0.35655686 F F F # 43 O13 0.15220002 0.06493295 0.64031206 T T T # 44 O29 0.01501609 0.14377613 0.33638892 F F F # 45 O14 0.89763918 0.22973272 0.65897718 T T T # 46 O15 0.05179116 0.51941330 0.10997198 F F F # 47 O16 0.07190257 0.52616925 0.43152957 F F F # 48 O17 0.30932585 0.74123387 0.26849465 F F F # 49 O18 0.38343631 0.68881720 0.56593273 T T T # 50 O19 0.16680484 0.76169527 0.10691650 F F F # 51 O20 0.14504783 0.77736756 0.41238764 F F F # 52 O21 0.42275738 0.99132540 0.26856221 F F F # 53 O22 0.37734342 0.94582173 0.59171307 T T T # 54 O23 0.47760246 0.80848068 0.18585604 F F F # 55 O24 0.44084367 0.86931911 0.48390044 F F F # 56 O25 0.23452366 0.93406044 0.19243410 F F F # 57 O26 0.18842687 0.85966744 0.52000260 T T T # 58 O27 0.27808637 0.57644791 0.35868434 F F F # 59 O28 0.02973272 0.64138570 0.32724826 F F F # 60 O30 0.91468642 0.53679482 0.67954022 T T T # 61 O31 0.55897593 0.98689340 0.10477746 F F F # 62 O32 0.57655325 0.07934062 0.44176400 F F F # 63 O33 0.81844130 0.19399657 0.25675300 F F F # 64 O34 0.78406588 0.20325046 0.55684531 T T T # 65 O35 0.65150290 0.23590633 0.10854058 F F F # 66 O36 0.65982010 0.32377340 0.41047526 F F F # 67 O37 0.88008812 0.44397055 0.28382228 F F F # 68 O38 0.92958432 0.42656449 0.58580832 T T T # 69 O39 0.97612723 0.32840418 0.18615906 F F F # 70 O40 0.94746665 0.32557761 0.48738943 F F F # 71 O41 0.71727619 0.40439385 0.19481316 F F F # 72 O42 0.70754825 0.43564499 0.51467507 T T T # 73 O43 0.75981312 0.09658603 0.36009289 F F F # 74 O44 0.66506939 0.10278942 0.64963895 T T T # 75 O45 0.50926910 0.18504131 0.33818663 F F F # 76 O46 0.39289414 0.15699686 0.66119024 T T T # 77 O47 0.55520834 0.48808645 0.10598475 F F F # 78 O48 0.58887716 0.57811106 0.43833390 F F F # 79 O49 0.82716601 0.69477521 0.25169405 F F F # 80 O50 0.83925619 0.71691894 0.58527975 T T T # 81 O51 0.65561879 0.73495401 0.10777673 F F F # 82 O52 0.64945182 0.82980899 0.41119644 F F F # 83 O53 0.89057650 0.94369829 0.28183871 F F F # 84 O54 0.88641593 0.97908116 0.59401109 T T T # 85 O55 0.98611498 0.83370631 0.18313168 F F F # 86 O56 0.93766264 0.82768574 0.48627321 F F F # 87 O57 0.72778309 0.90862314 0.19189884 F F F # 88 O58 0.69430343 0.90597781 0.51941259 T T T # 89 O59 0.77722883 0.62111113 0.36004254 F F F # 90 O60 0.66454461 0.56329536 0.64280506 T T T # 91 O61 0.52119443 0.68053174 0.33448199 F F F # 92 O62 0.43025073 0.58067922 0.67680767 T T T # 93 O63 0.57380345 0.35728089 0.68347614 T T T # 94 O 0.53087686 0.25309657 0.57584150 T T T # 95 O66 0.80479926 0.77296330 0.69716436 T T T # 96 O68 0.11894611 0.37268317 0.67592461 T T T # 97 O69 0.18619276 0.64808038 0.63744119 T T T # 98 O70 0.10416505 0.11115137 0.10771725 F F F # 99 H1 0.20073809 0.29690685 0.07299666 F F F # 100 H2 0.09695325 0.61119053 0.11001221 F F F # 101 H3 0.21105204 0.78721700 0.07131531 F F F # 102 H4 0.59336978 0.08302215 0.10849456 F F F # 103 H5 0.69011324 0.26315516 0.07203753 F F F # 104 H6 0.59364009 0.58272445 0.10876657 F F F # 105 H7 0.69560195 0.76088922 0.07136084 F F F # 106 H8 0.61180770 0.22188356 0.55415559 T T T # 107 H11 0.08022141 0.01091819 0.62183959 T T T # 108 H13 0.74748495 0.85240625 0.68996451 T T T # 109 H14 0.15237349 0.27833270 0.67857303 T T T # 110 H15 0.13607814 0.60161549 0.66782121 T T T # 111 H18 0.41802405 0.63848446 0.71142743 T T T # 112 H16 0.58215310 0.50408708 0.68726255 T T T # 113 B 0.59012034 0.55378603 0.74456322 T T T # 114 F