No title 1.0 15.46772000 0.00000000 0.00000000 0.00000000 28.46772000 0.00000000 0.00000000 0.00000000 16.40601000 Si O H C 193 52 68 8 Selective dynamics Direct 0.99384259 0.36833980 0.27009218 F F F # 1 Si1 0.99384259 0.43625761 0.18675884 F F F # 2 Si2 0.11884259 0.36833980 0.35342551 F F F # 3 Si3 0.11884259 0.43625761 0.10342551 F F F # 4 Si4 0.99512283 0.64090277 0.26732144 T T T # 5 Si5 0.99565820 0.16269013 0.18729413 T T T # 6 Si6 0.12013942 0.64241122 0.35029887 T T T # 7 Si7 0.12065630 0.16269527 0.10274304 T T T # 8 Si8 0.99391950 0.23223042 0.26913523 F F F # 9 Si9 0.99335410 0.57170858 0.18648018 T T T # 10 Si10 0.11894237 0.23230753 0.35406516 F F F # 11 Si11 0.11850471 0.57202442 0.10208192 T T T # 12 Si12 0.99384259 0.50417541 0.27009218 F F F # 13 Si13 0.99384259 0.30042200 0.18675884 F F F # 14 Si14 0.11884259 0.50417541 0.35342551 F F F # 15 Si15 0.11884259 0.30042200 0.10342551 F F F # 16 Si16 0.99384259 0.36833980 0.60342551 F F F # 17 Si17 0.99384259 0.43625761 0.52009218 F F F # 18 Si18 0.11884259 0.36833980 0.68675884 F F F # 19 Si19 0.11884259 0.43625761 0.43675884 F F F # 20 Si20 0.99772473 0.64171897 0.60277758 T T T # 21 Si21 0.99592852 0.16276828 0.52052819 T T T # 22 Si22 0.12157482 0.64104962 0.68846294 T T T # 23 Si23 0.12090834 0.16280861 0.43598125 T T T # 24 Si24 0.99387927 0.23222526 0.60252072 F F F # 25 Si25 0.49374541 0.57378591 0.52150673 T T T # 26 Si26 0.11886339 0.23225058 0.68751151 F F F # 27 Si27 0.11937999 0.57339477 0.43512968 T T T # 28 Si28 0.99384259 0.50417541 0.60342551 F F F # 29 Si29 0.99384259 0.30042200 0.52009218 F F F # 30 Si30 0.11884259 0.50417541 0.68675884 F F F # 31 Si31 0.11884259 0.30042200 0.43675884 F F F # 32 Si32 0.99384259 0.36833980 0.93675884 F F F # 33 Si33 0.99384259 0.43625761 0.85342551 F F F # 34 Si34 0.11884259 0.36833980 0.02009218 F F F # 35 Si35 0.11884259 0.43625761 0.77009218 F F F # 36 Si36 0.99568582 0.64150216 0.93600315 T T T # 37 Si37 0.99587603 0.16278630 0.85391716 T T T # 38 Si38 0.12039583 0.64160761 0.02067851 T T T # 39 Si39 0.12090440 0.16276042 0.76938176 T T T # 40 Si40 0.99390654 0.23223523 0.93596086 F F F # 41 Si41 0.49502807 0.57200461 0.85526704 T T T # 42 Si42 0.11888514 0.23224682 0.02092401 F F F # 43 Si43 0.11917969 0.57187469 0.77001577 T T T # 44 Si44 0.99384259 0.50417541 0.93675884 F F F # 45 Si45 0.99384259 0.30042200 0.85342551 F F F # 46 Si46 0.11884259 0.50417541 0.02009218 F F F # 47 Si47 0.11884259 0.30042200 0.77009218 F F F # 48 Si48 0.24384259 0.36833980 0.27009218 F F F # 49 Si49 0.24384259 0.43625761 0.18675884 F F F # 50 Si50 0.36884259 0.36833980 0.35342551 F F F # 51 Si51 0.36884259 0.43625761 0.10342551 F F F # 52 Si52 0.24504837 0.64068734 0.26633332 T T T # 53 Si53 0.24565579 0.16269476 0.18728994 T T T # 54 Si54 0.36842023 0.64181158 0.35210805 T T T # 55 Si55 0.37065318 0.16269906 0.10273998 T T T # 56 Si56 0.24393301 0.23222994 0.26914045 F F F # 57 Si57 0.24373246 0.57153525 0.18590241 T T T # 58 Si58 0.36894476 0.23230683 0.35406858 F F F # 59 Si59 0.36919968 0.57207464 0.10232698 T T T # 60 Si60 0.24384259 0.50417541 0.27009218 F F F # 61 Si61 0.24384259 0.30042200 0.18675884 F F F # 62 Si62 0.36884259 0.50417541 0.35342551 F F F # 63 Si63 0.36884259 0.30042200 0.10342551 F F F # 64 Si64 0.24384259 0.36833980 0.60342551 F F F # 65 Si65 0.24384259 0.43625761 0.52009218 F F F # 66 Si66 0.36884259 0.36833980 0.68675884 F F F # 67 Si67 0.36884259 0.43625761 0.43675884 F F F # 68 Si68 0.24812353 0.64152657 0.60648574 T T T # 69 Si69 0.24593381 0.16280207 0.52054213 T T T # 70 Si70 0.37149074 0.63978093 0.69207122 T T T # 71 Si71 0.37089797 0.16281820 0.43597333 T T T # 72 Si72 0.24388731 0.23224243 0.60257690 F F F # 73 Si73 0.24416882 0.57313350 0.52092724 T T T # 74 Si74 0.36890885 0.23224067 0.68751825 F F F # 75 Si75 0.36910805 0.57279706 0.43565405 T T T # 76 Si76 0.24384259 0.50417541 0.60342551 F F F # 77 Si77 0.24384259 0.30042200 0.52009218 F F F # 78 Si78 0.36884259 0.50417541 0.68675884 F F F # 79 Si79 0.36884259 0.30042200 0.43675884 F F F # 80 Si80 0.24384259 0.36833980 0.93675884 F F F # 81 Si81 0.24384259 0.43625761 0.85342551 F F F # 82 Si82 0.36884259 0.36833980 0.02009218 F F F # 83 Si83 0.36884259 0.43625761 0.77009218 F F F # 84 Si84 0.24568143 0.64150116 0.93693493 T T T # 85 Si85 0.24588064 0.16280504 0.85392979 T T T # 86 Si86 0.37113023 0.64164670 0.02082809 T T T # 87 Si87 0.37090303 0.16274418 0.76937208 T T T # 88 Si88 0.24390579 0.23224279 0.93600990 F F F # 89 Si89 0.24393434 0.57206869 0.85498898 T T T # 90 Si90 0.36890795 0.23224868 0.02092329 F F F # 91 Si91 0.36983572 0.57091048 0.77201691 T T T # 92 Si92 0.24384259 0.50417541 0.93675884 F F F # 93 Si93 0.24384259 0.30042200 0.85342551 F F F # 94 Si94 0.36884259 0.50417541 0.02009218 F F F # 95 Si95 0.36884259 0.30042200 0.77009218 F F F # 96 Si96 0.49384259 0.36833980 0.27009218 F F F # 97 Si98 0.49384259 0.43625761 0.18675884 F F F # 98 Si99 0.61884259 0.36833980 0.35342551 F F F # 99 Si100 0.61884259 0.43625761 0.10342551 F F F # 100 Si101 0.49488368 0.64194977 0.26944521 T T T # 101 Si102 0.49565923 0.16270313 0.18726668 T T T # 102 Si103 0.62123818 0.64115875 0.35199146 T T T # 103 Si104 0.62066291 0.16269804 0.10273645 T T T # 104 Si105 0.49391950 0.23223042 0.26913523 F F F # 105 Si106 0.49391373 0.57232505 0.18767480 T T T # 106 Si107 0.61894237 0.23230753 0.35406516 F F F # 107 Si108 0.61889688 0.57213322 0.10270350 T T T # 108 Si109 0.49384259 0.50417541 0.27009218 F F F # 109 Si110 0.49384259 0.30042200 0.18675884 F F F # 110 Si111 0.61884259 0.50417541 0.35342551 F F F # 111 Si112 0.61884259 0.30042200 0.10342551 F F F # 112 Si113 0.49384259 0.36833980 0.60342551 F F F # 113 Si114 0.49384259 0.43625761 0.52009218 F F F # 114 Si115 0.61884259 0.36833980 0.68675884 F F F # 115 Si116 0.61884259 0.43625761 0.43675884 F F F # 116 Si117 0.49507094 0.64299336 0.60682381 T T T # 117 Si118 0.49593360 0.16278894 0.52050304 T T T # 118 Si119 0.62190581 0.64131238 0.68851424 T T T # 119 Si120 0.62092748 0.16282818 0.43598876 T T T # 120 Si121 0.49387927 0.23222526 0.60252072 F F F # 121 Si122 0.99461218 0.57235995 0.52057362 T T T # 122 Si123 0.61886339 0.23225058 0.68751151 F F F # 123 Si124 0.61859535 0.57254879 0.43615270 T T T # 124 Si125 0.49384259 0.50417541 0.60342551 F F F # 125 Si126 0.49384259 0.30042200 0.52009218 F F F # 126 Si127 0.61884259 0.50417541 0.68675884 F F F # 127 Si128 0.61884259 0.30042200 0.43675884 F F F # 128 Si129 0.49384259 0.36833980 0.93675884 F F F # 129 Si130 0.49384259 0.43625761 0.85342551 F F F # 130 Si131 0.61884259 0.36833980 0.02009218 F F F # 131 Si132 0.61884259 0.43625761 0.77009218 F F F # 132 Si133 0.49635851 0.64156309 0.93676866 T T T # 133 Si134 0.49587325 0.16279524 0.85390870 T T T # 134 Si135 0.62121688 0.64157463 0.02098443 T T T # 135 Si136 0.62090767 0.16275983 0.76938389 T T T # 136 Si137 0.49390654 0.23223523 0.93596086 F F F # 137 Si138 0.99395830 0.57207766 0.85427199 T T T # 138 Si139 0.61888514 0.23224682 0.02092401 F F F # 139 Si140 0.61943851 0.57187571 0.76978842 T T T # 140 Si141 0.49384259 0.50417541 0.93675884 F F F # 141 Si142 0.49384259 0.30042200 0.85342551 F F F # 142 Si143 0.61884259 0.50417541 0.02009218 F F F # 143 Si144 0.61884259 0.30042200 0.77009218 F F F # 144 Si145 0.74384259 0.36833980 0.27009218 F F F # 145 Si146 0.74384259 0.43625761 0.18675884 F F F # 146 Si147 0.86884259 0.36833980 0.35342551 F F F # 147 Si148 0.86884259 0.43625761 0.10342551 F F F # 148 Si149 0.74631832 0.64088961 0.26830386 T T T # 149 Si150 0.74566185 0.16269897 0.18727693 T T T # 150 Si151 0.87121745 0.64136370 0.35322902 T T T # 151 Si152 0.87066673 0.16269531 0.10273720 T T T # 152 Si153 0.74393301 0.23222994 0.26914045 F F F # 153 Si154 0.74437153 0.57177952 0.18662180 T T T # 154 Si155 0.86894476 0.23230683 0.35406858 F F F # 155 Si156 0.86891855 0.57196828 0.10187138 T T T # 156 Si157 0.74384259 0.50417541 0.27009218 F F F # 157 Si158 0.74384259 0.30042200 0.18675884 F F F # 158 Si159 0.86884259 0.50417541 0.35342551 F F F # 159 Si160 0.86884259 0.30042200 0.10342551 F F F # 160 Si161 0.74384259 0.36833980 0.60342551 F F F # 161 Si162 0.74384259 0.43625761 0.52009218 F F F # 162 Si163 0.86884259 0.36833980 0.68675884 F F F # 163 Si164 0.86884259 0.43625761 0.43675884 F F F # 164 Si165 0.74652688 0.64133163 0.60332206 T T T # 165 Si166 0.74594547 0.16279149 0.52055864 T T T # 166 Si167 0.87211126 0.64171135 0.68700351 T T T # 167 Si168 0.87090367 0.16280460 0.43597359 T T T # 168 Si169 0.74388731 0.23224243 0.60257690 F F F # 169 Si170 0.74406951 0.57219549 0.52073253 T T T # 170 Si171 0.86890885 0.23224067 0.68751825 F F F # 171 Si172 0.86922175 0.57225414 0.43598921 T T T # 172 Si173 0.74384259 0.50417541 0.60342551 F F F # 173 Si174 0.74384259 0.30042200 0.52009218 F F F # 174 Si175 0.86884259 0.50417541 0.68675884 F F F # 175 Si176 0.86884259 0.30042200 0.43675884 F F F # 176 Si177 0.74384259 0.36833980 0.93675884 F F F # 177 Si178 0.74384259 0.43625761 0.85342551 F F F # 178 Si179 0.86884259 0.36833980 0.02009218 F F F # 179 Si180 0.86884259 0.43625761 0.77009218 F F F # 180 Si181 0.74604176 0.64151152 0.93611011 T T T # 181 Si182 0.74588049 0.16280349 0.85393666 T T T # 182 Si183 0.87074307 0.64147595 0.02037623 T T T # 183 Si184 0.87090106 0.16273979 0.76938177 T T T # 184 Si185 0.74390579 0.23224279 0.93600990 F F F # 185 Si186 0.74443278 0.57212535 0.85419112 T T T # 186 Si187 0.86890795 0.23224868 0.02092329 F F F # 187 Si188 0.86934144 0.57229042 0.76906623 T T T # 188 Si189 0.74384259 0.50417541 0.93675884 F F F # 189 Si190 0.74384259 0.30042200 0.85342551 F F F # 190 Si191 0.86884259 0.50417541 0.02009218 F F F # 191 Si192 0.86884259 0.30042200 0.77009218 F F F # 192 Si193 0.43515412 0.77839028 0.56727887 T T T # 193 Si194 0.00089681 0.11692299 0.25309564 T T T # 194 O1 0.12588943 0.11694175 0.03691127 T T T # 195 O2 0.00106706 0.11695042 0.58626589 T T T # 196 O3 0.12594715 0.11703714 0.37015762 T T T # 197 O4 0.00094950 0.11697804 0.91966778 T T T # 198 O5 0.12606253 0.11699341 0.70356463 T T T # 199 O6 0.25090182 0.11692003 0.25308222 T T T # 200 O7 0.37587344 0.11694155 0.03690937 T T T # 201 O8 0.25108053 0.11701184 0.58632082 T T T # 202 O9 0.37592406 0.11705235 0.37013463 T T T # 203 O10 0.25093667 0.11698779 0.91967344 T T T # 204 O11 0.37606226 0.11695242 0.70359818 T T T # 205 O12 0.99986527 0.68675824 0.20154460 T T T # 206 O13 0.12390920 0.69137477 0.40504867 T T T # 207 O14 0.00560993 0.68764037 0.53823992 T T T # 208 O15 0.12566133 0.68693203 0.75451710 T T T # 209 O16 0.00064524 0.68737641 0.87034603 T T T # 210 O17 0.12477576 0.68761428 0.08579587 T T T # 211 O18 0.25127124 0.68665563 0.20063951 T T T # 212 O19 0.36850101 0.68841204 0.41412840 T T T # 213 O20 0.25503170 0.68752712 0.54349798 T T T # 214 O21 0.37611350 0.68585438 0.75775444 T T T # 215 O22 0.25009912 0.68743952 0.87124335 T T T # 216 O23 0.37617691 0.68745267 0.08636739 T T T # 217 O24 0.50088992 0.11694015 0.25309309 T T T # 218 O29 0.62586471 0.11693568 0.03691852 T T T # 219 O30 0.50106833 0.11699830 0.58629386 T T T # 220 O31 0.62591741 0.11705858 0.37014766 T T T # 221 O32 0.50092542 0.11699050 0.91967787 T T T # 222 O33 0.62605351 0.11697431 0.70359304 T T T # 223 O34 0.75087875 0.11692703 0.25307954 T T T # 224 O35 0.87588075 0.11694207 0.03690802 T T T # 225 O36 0.75104377 0.11695515 0.58626680 T T T # 226 O37 0.87590104 0.11701628 0.37017747 T T T # 227 O38 0.75092291 0.11698341 0.91966923 T T T # 228 O39 0.87603894 0.11695060 0.70360533 T T T # 229 O40 0.50100131 0.68767238 0.20338937 T T T # 230 O41 0.63287147 0.68691378 0.41617590 T T T # 231 O42 0.49361195 0.69174307 0.54960402 T T T # 232 O43 0.62782183 0.68664650 0.75541662 T T T # 233 O44 0.50171137 0.68733477 0.87104371 T T T # 234 O45 0.62608468 0.68742184 0.08663774 T T T # 235 O46 0.75116990 0.68708383 0.20316234 T T T # 236 O47 0.87759668 0.68703778 0.41915418 T T T # 237 O48 0.75077833 0.68697209 0.53725589 T T T # 238 O49 0.87645076 0.68751470 0.75300359 T T T # 239 O50 0.75174864 0.68735714 0.87063324 T T T # 240 O51 0.87504490 0.68747057 0.08562372 T T T # 241 O52 0.35220850 0.78115159 0.53894140 T T T # 242 O53 0.47720099 0.77433297 0.64528876 T T T # 243 O54 0.50143135 0.79386737 0.49434129 T T T # 244 O55 0.26543299 0.80856094 0.61422312 T T T # 245 O56 0.45192564 0.11443893 0.29290361 T T T # 246 H1 0.07694624 0.11441036 0.99709935 T T T # 247 H2 0.45210861 0.11448723 0.62608286 T T T # 248 H3 0.07694660 0.11450898 0.33039779 T T T # 249 H4 0.45195227 0.11447688 0.95945213 T T T # 250 H5 0.07711188 0.11448152 0.66376210 T T T # 251 H6 0.20193953 0.11439768 0.29288802 T T T # 252 H7 0.32693346 0.11442384 0.99708896 T T T # 253 H8 0.20211890 0.11450198 0.62610953 T T T # 254 H9 0.32692701 0.11453474 0.33036367 T T T # 255 H10 0.20195960 0.11446281 0.95944157 T T T # 256 H11 0.32712681 0.11446783 0.66377155 T T T # 257 H12 0.45207533 0.69014949 0.16348668 T T T # 258 H13 0.08998544 0.69262687 0.45604344 T T T # 259 H14 0.07646349 0.68918390 0.79423205 T T T # 260 H16 0.45257728 0.68920328 0.83095912 T T T # 261 H17 0.07590575 0.68982677 0.12597623 T T T # 262 H18 0.20173418 0.68980326 0.16160159 T T T # 263 H19 0.32275095 0.68911217 0.45692496 T T T # 264 H20 0.32675285 0.68832549 0.79734229 T T T # 265 H22 0.20123960 0.68946296 0.83110440 T T T # 266 H23 0.32700403 0.68960424 0.12639154 T T T # 267 H24 0.16117223 0.80437699 0.68465984 T T T # 268 H35 0.19858322 0.88852131 0.67263263 T T T # 269 H38 0.95193161 0.11438970 0.29288924 T T T # 270 H45 0.57693324 0.11442329 0.99708936 T T T # 271 H46 0.95211258 0.11443555 0.62605154 T T T # 272 H47 0.57693165 0.11456870 0.33035879 T T T # 273 H48 0.95197064 0.11443957 0.95942653 T T T # 274 H49 0.57711760 0.11450164 0.66376874 T T T # 275 H50 0.70192614 0.11443025 0.29289834 T T T # 276 H51 0.82694234 0.11441240 0.99709240 T T T # 277 H52 0.70211172 0.11447396 0.62608888 T T T # 278 H53 0.82692697 0.11451339 0.33038579 T T T # 279 H54 0.70195492 0.11445609 0.95944232 T T T # 280 H55 0.82710416 0.11445280 0.66378931 T T T # 281 H56 0.95076025 0.68948519 0.16193244 T T T # 282 H57 0.58865109 0.70323083 0.44040990 T T T # 283 H58 0.95872302 0.69022374 0.49664639 T T T # 284 H59 0.57839584 0.68926133 0.79469427 T T T # 285 H60 0.95179700 0.68982311 0.83034083 T T T # 286 H61 0.57709590 0.68984873 0.12648766 T T T # 287 H62 0.70205616 0.68961476 0.16351065 T T T # 288 H63 0.82937266 0.68944940 0.45952733 T T T # 289 H64 0.36644037 0.74328581 0.55515154 T T T # 290 H65 0.82755509 0.68974296 0.79292540 T T T # 291 H66 0.70297650 0.68947024 0.83029050 T T T # 292 H67 0.82629453 0.68975382 0.12578043 T T T # 293 H68 0.56081614 0.80385912 0.67519172 T T T # 294 H69 0.49190469 0.82953443 0.65486591 T T T # 295 H70 0.52238087 0.83435748 0.80320926 T T T # 296 H71 0.51290431 0.78852342 0.80246893 T T T # 297 H72 0.44609732 0.81466618 0.78323822 T T T # 298 H73 0.59468282 0.79388763 0.52532133 T T T # 299 H74 0.58714928 0.78929138 0.42940916 T T T # 300 H75 0.63518102 0.85260905 0.42822715 T T T # 301 H76 0.56567224 0.86080093 0.49013523 T T T # 302 H77 0.55725573 0.85563982 0.39452924 T T T # 303 H78 0.25898107 0.79236140 0.73322377 T T T # 304 H80 0.19709464 0.87024036 0.77236809 T T T # 305 H81 0.29517020 0.87619911 0.72310414 T T T # 306 H83 0.36427957 0.80561203 0.42211950 T T T # 307 H84 0.27973493 0.77167912 0.43550167 T T T # 308 H85 0.23759409 0.84859900 0.41828151 T T T # 309 H86 0.29990595 0.86433458 0.50319797 T T T # 310 H87 0.21534221 0.82988405 0.51690734 T T T # 311 H88 0.25095828 0.72075201 0.56464198 T T T # 312 H89 0.70285474 0.68798100 0.49603995 T T T # 313 H79 0.50872454 0.80646770 0.68414971 T T T # 314 C9 0.49658909 0.81122741 0.77346177 T T T # 315 C10 0.56929615 0.80413854 0.47447935 T T T # 316 C11 0.58229706 0.84565800 0.44520139 T T T # 317 C12 0.22697141 0.81529408 0.68986738 T T T # 318 C13 0.22972837 0.86548891 0.71572619 T T T # 319 C14 0.31588677 0.79797354 0.46278303 T T T # 320 C15 0.26439147 0.83748189 0.47673747 T T T # 321 C16