No title 1.0 11.60079000 0.00000000 0.00000000 0.00000000 30.46772000 0.00000000 0.00000000 0.00000000 16.40601000 Si O H C 147 42 76 17 Selective dynamics Direct 0.92605664 0.34264834 0.13601758 F F F # 1 Si1 0.92605664 0.40610780 0.05268425 F F F # 2 Si2 0.09272331 0.34264834 0.21935091 F F F # 3 Si3 0.09272331 0.40610780 0.96935091 F F F # 4 Si4 0.92810621 0.59694202 0.13224570 T T T # 5 Si5 0.92293743 0.15051157 0.05338357 T T T # 6 Si6 0.09369929 0.59872386 0.21635198 T T T # 7 Si7 0.08964035 0.15046902 0.96872886 T T T # 8 Si8 0.92535139 0.21547158 0.13520218 T T T # 9 Si9 0.92582853 0.53231607 0.05216761 T T T # 10 Si10 0.09201954 0.21548173 0.22025826 T T T # 11 Si11 0.09300057 0.53283445 0.96860611 T T T # 12 Si12 0.92605664 0.46956726 0.13601758 F F F # 13 Si13 0.92605664 0.27918888 0.05268425 F F F # 14 Si14 0.09272331 0.46956726 0.21935091 F F F # 15 Si15 0.09272331 0.27918888 0.96935091 F F F # 16 Si16 0.92605664 0.34264834 0.46935091 F F F # 17 Si17 0.92605664 0.40610780 0.38601758 F F F # 18 Si18 0.09272331 0.34264834 0.55268425 F F F # 19 Si19 0.09272331 0.40610780 0.30268425 F F F # 20 Si20 0.93234175 0.59684957 0.46842057 T T T # 21 Si21 0.92283106 0.15046681 0.38676102 T T T # 22 Si22 0.09888512 0.59673353 0.55334194 T T T # 23 Si23 0.08946207 0.15048251 0.30205919 T T T # 24 Si24 0.92544947 0.21548689 0.46849661 T T T # 25 Si25 0.92828517 0.53263236 0.38585928 T T T # 26 Si26 0.09209630 0.21549575 0.55358599 T T T # 27 Si27 0.09474041 0.53415434 0.30085074 T T T # 28 Si28 0.92605664 0.46956726 0.46935091 F F F # 29 Si29 0.92605664 0.27918888 0.38601758 F F F # 30 Si30 0.09272331 0.46956726 0.55268425 F F F # 31 Si31 0.09272331 0.27918888 0.30268425 F F F # 32 Si32 0.92605664 0.34264834 0.80268425 F F F # 33 Si33 0.92605664 0.40610780 0.71935091 F F F # 34 Si34 0.09272331 0.34264834 0.88601758 F F F # 35 Si35 0.09272331 0.40610780 0.63601758 F F F # 36 Si36 0.93034638 0.59788201 0.80230825 T T T # 37 Si37 0.92279156 0.15049139 0.72001011 T T T # 38 Si38 0.09597691 0.59780832 0.88771788 T T T # 39 Si39 0.08943842 0.15054146 0.63540162 T T T # 40 Si40 0.92578761 0.21545645 0.80184018 T T T # 41 Si41 0.92710573 0.53306399 0.72041244 T T T # 42 Si42 0.09243081 0.21546701 0.88695337 T T T # 43 Si43 0.09491115 0.53287809 0.63668672 T T T # 44 Si44 0.92605664 0.46956726 0.80268425 F F F # 45 Si45 0.92605664 0.27918888 0.71935091 F F F # 46 Si46 0.09272331 0.46956726 0.88601758 F F F # 47 Si47 0.09272331 0.27918888 0.63601758 F F F # 48 Si48 0.25938997 0.34264834 0.13601758 F F F # 49 Si49 0.25938997 0.40610780 0.05268425 F F F # 50 Si50 0.42605664 0.34264834 0.21935091 F F F # 51 Si51 0.42605664 0.40610780 0.96935091 F F F # 52 Si52 0.26146325 0.59787540 0.13383067 T T T # 53 Si53 0.25626710 0.15048719 0.05338959 T T T # 54 Si54 0.42662752 0.59841484 0.21967185 T T T # 55 Si55 0.42297674 0.15044866 0.96873101 T T T # 56 Si56 0.25867281 0.21546212 0.13517921 T T T # 57 Si57 0.25951478 0.53281618 0.05346259 T T T # 58 Si58 0.42532020 0.21548948 0.22024617 T T T # 59 Si59 0.42688696 0.53231808 0.97029467 T T T # 60 Si60 0.25938997 0.46956726 0.13601758 F F F # 61 Si61 0.25938997 0.27918888 0.05268425 F F F # 62 Si62 0.42605664 0.46956726 0.21935091 F F F # 63 Si63 0.42605664 0.27918888 0.96935091 F F F # 64 Si64 0.25938997 0.34264834 0.46935091 F F F # 65 Si65 0.25938997 0.40610780 0.38601758 F F F # 66 Si66 0.42605664 0.34264834 0.55268425 F F F # 67 Si67 0.42605664 0.40610780 0.30268425 F F F # 68 Si68 0.26643246 0.59857308 0.46959795 T T T # 69 Si69 0.25615771 0.15048728 0.38672946 T T T # 70 Si70 0.43624931 0.60668189 0.54910016 T T T # 71 Si71 0.42281560 0.15050165 0.30205757 T T T # 72 Si72 0.25873760 0.21549924 0.46849758 T T T # 73 Si73 0.26124712 0.53380913 0.38670940 T T T # 74 Si74 0.42547813 0.21554488 0.55343659 T T T # 75 Si75 0.42691052 0.53327056 0.30101183 T T T # 76 Si76 0.25938997 0.46956726 0.46935091 F F F # 77 Si77 0.25938997 0.27918888 0.38601758 F F F # 78 Si78 0.42605664 0.46956726 0.55268425 F F F # 79 Si79 0.42605664 0.27918888 0.30268425 F F F # 80 Si80 0.25938997 0.34264834 0.80268425 F F F # 81 Si81 0.25938997 0.40610780 0.71935091 F F F # 82 Si82 0.42605664 0.34264834 0.88601758 F F F # 83 Si83 0.42605664 0.40610780 0.63601758 F F F # 84 Si84 0.26360022 0.59794906 0.80476310 T T T # 85 Si85 0.25611665 0.15049706 0.72001209 T T T # 86 Si86 0.42865627 0.59689663 0.88984237 T T T # 87 Si87 0.42277586 0.15060682 0.63541848 T T T # 88 Si88 0.25912806 0.21545300 0.80185395 T T T # 89 Si89 0.26268459 0.53381720 0.72054016 T T T # 90 Si90 0.42576522 0.21545408 0.88697646 T T T # 91 Si91 0.42826781 0.53763236 0.63348232 T T T # 92 Si92 0.25938997 0.46956726 0.80268425 F F F # 93 Si93 0.25938997 0.27918888 0.71935091 F F F # 94 Si94 0.42605664 0.46956726 0.88601758 F F F # 95 Si95 0.42605664 0.27918888 0.63601758 F F F # 96 Si96 0.59272331 0.34264834 0.13601758 F F F # 97 Si97 0.59272331 0.40610780 0.05268425 F F F # 98 Si98 0.75938997 0.34264834 0.21935091 F F F # 99 Si99 0.75938997 0.40610780 0.96935091 F F F # 100 Si100 0.59516239 0.59857901 0.13635262 T T T # 101 Si101 0.58960496 0.15051144 0.05338386 T T T # 102 Si102 0.76396448 0.59780218 0.21867210 T T T # 103 Si103 0.75629424 0.15048646 0.96872509 T T T # 104 Si104 0.59201652 0.21547328 0.13520623 T T T # 105 Si105 0.59344119 0.53335312 0.05462985 T T T # 106 Si106 0.75867675 0.21548719 0.22026869 T T T # 107 Si107 0.75933158 0.53294924 0.96845509 T T T # 108 Si108 0.59272331 0.46956726 0.13601758 F F F # 109 Si109 0.59272331 0.27918888 0.05268425 F F F # 110 Si110 0.75938997 0.46956726 0.21935091 F F F # 111 Si111 0.75938997 0.27918888 0.96935091 F F F # 112 Si112 0.59272331 0.34264834 0.46935091 F F F # 113 Si113 0.59272331 0.40610780 0.38601758 F F F # 114 Si114 0.75938997 0.34264834 0.55268425 F F F # 115 Si115 0.75938997 0.40610780 0.30268425 F F F # 116 Si116 0.59956328 0.59672823 0.46468142 T T T # 117 Si117 0.58949709 0.15050452 0.38674353 T T T # 118 Si118 0.76448733 0.59563933 0.55162027 T T T # 119 Si119 0.75615288 0.15050231 0.30207520 T T T # 120 Si120 0.59220506 0.21550396 0.46848098 T T T # 121 Si121 0.59443593 0.53207564 0.38463476 T T T # 122 Si122 0.75881463 0.21549646 0.55360336 T T T # 123 Si123 0.76150762 0.53306904 0.30097935 T T T # 124 Si124 0.59272331 0.46956726 0.46935091 F F F # 125 Si125 0.59272331 0.27918888 0.38601758 F F F # 126 Si126 0.75938997 0.46956726 0.55268425 F F F # 127 Si127 0.75938997 0.27918888 0.30268425 F F F # 128 Si128 0.59272331 0.34264834 0.80268425 F F F # 129 Si129 0.59272331 0.40610780 0.71935091 F F F # 130 Si130 0.75938997 0.34264834 0.88601758 F F F # 131 Si131 0.75938997 0.40610780 0.63601758 F F F # 132 Si132 0.59413888 0.59603186 0.80511313 T T T # 133 Si133 0.58949868 0.15048892 0.72000107 T T T # 134 Si134 0.76276799 0.59780811 0.88666364 T T T # 135 Si135 0.75612418 0.15054807 0.63538736 T T T # 136 Si136 0.59241834 0.21544973 0.80183273 T T T # 137 Si137 0.59257054 0.53280330 0.71991488 T T T # 138 Si138 0.75908451 0.21547452 0.88693430 T T T # 139 Si139 0.76026772 0.53225842 0.63579546 T T T # 140 Si140 0.59272331 0.46956726 0.80268425 F F F # 141 Si141 0.59272331 0.27918888 0.71935091 F F F # 142 Si142 0.75938997 0.46956726 0.88601758 F F F # 143 Si143 0.75938997 0.27918888 0.63601758 F F F # 144 Si144 0.72218173 0.76601866 0.59367010 T T T # 145 Si145 0.61277443 0.76249830 0.42073738 T T T # 146 Si146 0.47448474 0.71559314 0.57352488 T T T # 147 Si147 0.93421592 0.64012050 0.06725510 T T T # 148 O1 0.91622313 0.10777976 0.11923575 T T T # 149 O2 0.09496155 0.64436870 0.27150326 T T T # 150 O3 0.08282648 0.10773253 0.90291738 T T T # 151 O4 0.93918809 0.63948824 0.40306878 T T T # 152 O5 0.91620170 0.10773812 0.45263034 T T T # 153 O6 0.10668722 0.64113598 0.61684129 T T T # 154 O7 0.08289963 0.10776785 0.23616336 T T T # 155 O8 0.93941604 0.64040332 0.73573623 T T T # 156 O9 0.91612755 0.10772917 0.78577463 T T T # 157 O10 0.10146043 0.64074659 0.95308098 T T T # 158 O11 0.08283369 0.10782859 0.56949315 T T T # 159 O12 0.26961742 0.64065181 0.06796354 T T T # 160 O13 0.24956486 0.10776346 0.11924734 T T T # 161 O14 0.42917305 0.64088307 0.28608746 T T T # 162 O15 0.41619079 0.10771332 0.90292453 T T T # 163 O16 0.26670255 0.64179883 0.40579766 T T T # 164 O17 0.24952275 0.10778522 0.45265224 T T T # 165 O18 0.44809238 0.65906702 0.58475814 T T T # 166 O19 0.41625920 0.10778360 0.23617066 T T T # 167 O20 0.27664812 0.64214593 0.74522944 T T T # 168 O21 0.24951356 0.10771113 0.78573130 T T T # 169 O22 0.43706874 0.64018309 0.95434737 T T T # 170 O23 0.41617860 0.10793109 0.56942752 T T T # 171 O24 0.60277264 0.64108900 0.07000156 T T T # 172 O25 0.58293595 0.10779595 0.11926598 T T T # 173 O26 0.77596984 0.64081213 0.28309220 T T T # 174 O27 0.74947791 0.10774899 0.90291562 T T T # 175 O28 0.60752161 0.63915080 0.39781866 T T T # 176 O29 0.58286746 0.10780856 0.45268455 T T T # 177 O30 0.76816348 0.63678227 0.62155244 T T T # 178 O31 0.74959697 0.10779340 0.23616270 T T T # 179 O32 0.59959602 0.63920969 0.73954848 T T T # 180 O33 0.58280048 0.10770721 0.78572832 T T T # 181 O34 0.76791310 0.64101046 0.95152648 T T T # 182 O35 0.74951036 0.10784185 0.56946604 T T T # 183 O36 0.58810100 0.81635752 0.41246125 T T T # 184 O37 0.38796163 0.74461812 0.63203831 T T T # 185 O38 0.69267359 0.81807061 0.61194603 T T T # 186 O39 0.16287984 0.70295157 0.48910503 T T T # 187 O40 0.64893352 0.74175643 0.33075094 T T T # 188 O41 0.84798524 0.75711872 0.63849455 T T T # 189 O42 0.86896220 0.64273065 0.02743794 T T T # 190 H1 0.98156351 0.10545226 0.15901439 T T T # 191 H2 0.04814522 0.64431168 0.32196928 T T T # 192 H3 0.14811427 0.10537820 0.86312442 T T T # 193 H4 0.87694366 0.64125482 0.36070879 T T T # 194 H5 0.98153048 0.10545141 0.49244304 T T T # 195 H6 0.04455086 0.64298905 0.65939938 T T T # 196 H7 0.14822710 0.10548151 0.19635259 T T T # 197 H8 0.87395817 0.64233180 0.69605398 T T T # 198 H9 0.98142926 0.10539730 0.82556643 T T T # 199 H10 0.03601607 0.64283316 0.99307700 T T T # 200 H11 0.14818604 0.10551636 0.52971416 T T T # 201 H12 0.20382316 0.64328891 0.02851435 T T T # 202 H13 0.31489870 0.10544570 0.15903162 T T T # 203 H14 0.35989823 0.64424463 0.32220728 T T T # 204 H15 0.48146695 0.10538045 0.86311326 T T T # 205 H16 0.22215667 0.66797346 0.42664016 T T T # 206 H17 0.31486132 0.10550941 0.49246278 T T T # 207 H18 0.15383652 0.68719506 0.54058967 T T T # 208 H19 0.48158040 0.10551103 0.19635168 T T T # 209 H20 0.22436714 0.64391807 0.69788006 T T T # 210 H21 0.31478993 0.10538820 0.82554475 T T T # 211 H22 0.37123688 0.64280777 0.99399544 T T T # 212 H23 0.48156232 0.10560857 0.52966257 T T T # 213 H24 0.53751027 0.64303634 0.02987377 T T T # 214 H25 0.64827154 0.10548624 0.15905533 T T T # 215 H26 0.71027635 0.64486390 0.32203039 T T T # 216 H27 0.81476374 0.10540017 0.86311153 T T T # 217 H28 0.53953217 0.64210132 0.36054147 T T T # 218 H29 0.64821294 0.10552472 0.49249309 T T T # 219 H30 0.70178698 0.63707553 0.66061034 T T T # 220 H31 0.81492228 0.10553142 0.19634307 T T T # 221 H32 0.52723668 0.64865378 0.71395329 T T T # 222 H33 0.64808398 0.10538601 0.82553832 T T T # 223 H34 0.70312677 0.64311226 0.99180256 T T T # 224 H35 0.81488378 0.10551871 0.52970719 T T T # 225 H36 0.79037068 0.75859091 0.75980511 T T T # 226 H37 0.93176509 0.73844121 0.74229827 T T T # 227 H38 0.94136997 0.81246223 0.80516727 T T T # 228 H39 0.85430855 0.83487570 0.72521219 T T T # 229 H40 0.99531668 0.81524292 0.70329294 T T T # 230 H41 0.23797079 0.77408478 0.59020847 T T T # 231 H42 0.21893116 0.72699861 0.65440962 T T T # 232 H43 0.17288222 0.79553266 0.73118527 T T T # 233 H44 0.31306788 0.81677854 0.70957501 T T T # 234 H45 0.29674170 0.76956879 0.77364644 T T T # 235 H46 0.29180511 0.75692696 0.47387612 T T T # 236 H47 0.38773223 0.80189706 0.47962230 T T T # 237 H48 0.27447064 0.80375216 0.35146247 T T T # 238 H49 0.32543090 0.75077217 0.32348271 T T T # 239 H50 0.42157784 0.79642800 0.32827597 T T T # 240 H51 0.54047549 0.72961269 0.23310039 T T T # 241 H52 0.56797818 0.78618138 0.25238123 T T T # 242 H53 0.67586744 0.75960736 0.12934613 T T T # 243 H54 0.74897079 0.71994161 0.19054786 T T T # 244 H55 0.77290641 0.77700318 0.20745281 T T T # 245 H56 0.98368299 0.70961117 0.49060105 T T T # 246 H57 0.06271900 0.75721229 0.52254542 T T T # 247 H58 0.97535732 0.76584021 0.38466465 T T T # 248 H59 0.05595026 0.72023124 0.34755734 T T T # 249 H60 0.12848331 0.76921667 0.37998587 T T T # 250 H61 0.73997725 0.84861745 0.44347116 T T T # 251 H62 0.72572224 0.83535664 0.33754596 T T T # 252 H63 0.69601697 0.91539802 0.36065625 T T T # 253 H64 0.58122653 0.90379512 0.43012501 T T T # 254 H65 0.56646156 0.89063381 0.32433373 T T T # 255 H66 0.54261149 0.84213806 0.55887975 T T T # 256 H67 0.52680666 0.82226501 0.66072275 T T T # 257 H68 0.64985966 0.88446033 0.71230898 T T T # 258 H69 0.52730267 0.90432935 0.65705696 T T T # 259 H70 0.66684801 0.90378465 0.61030698 T T T # 260 H71 0.76993988 0.71913909 0.47951342 T T T # 261 H72 0.81391452 0.77366940 0.45828602 T T T # 262 H73 0.45815273 0.70899034 0.42404530 T T T # 263 H74 0.66211970 0.69602690 0.62620110 T T T # 264 H75 0.58708430 0.73114670 0.69419680 T T T # 265 H76 0.74377076 0.75379578 0.48422065 T T T # 266 C1 0.47237721 0.73801859 0.46306613 T T T # 267 C2 0.61127418 0.72623848 0.62995239 T T T # 268 C3 0.86967274 0.76392569 0.72365884 T T T # 269 C4 0.91781960 0.80942387 0.74036800 T T T # 270 C5 0.27095402 0.75687478 0.64465586 T T T # 271 C6 0.26318071 0.78647495 0.71932081 T T T # 272 C7 0.37068557 0.77077827 0.44768471 T T T # 273 C8 0.34728615 0.78075745 0.35765756 T T T # 274 C9 0.60791865 0.75325948 0.25127960 T T T # 275 C10 0.70745297 0.75237502 0.19113816 T T T # 276 C11 0.06033032 0.72986854 0.47825413 T T T # 277 C12 0.05566240 0.74716470 0.39223863 T T T # 278 C13 0.67841884 0.84684698 0.39214068 T T T # 279 C14 0.62717612 0.89184874 0.37582020 T T T # 280 C15 0.58490448 0.84036653 0.61920644 T T T # 281 C16 0.60865982 0.88604466 0.65185260 T T T # 282 C17