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 0.99179012 0.36862881 0.27036070 F F F # 1 Si1 0.99179012 0.43654662 0.18702736 F F F # 2 Si2 0.11679012 0.36862881 0.35369403 F F F # 3 Si3 0.11679012 0.43654662 0.10369403 F F F # 4 Si4 0.99306755 0.64120431 0.26767419 T T T # 5 Si5 0.99360842 0.16298143 0.18756075 T T T # 6 Si6 0.11819094 0.64274818 0.35047412 T T T # 7 Si7 0.11860624 0.16298485 0.10300896 T T T # 8 Si8 0.99186703 0.23251943 0.26940375 F F F # 9 Si9 0.99132847 0.57199960 0.18682194 T T T # 10 Si10 0.11688990 0.23259654 0.35433368 F F F # 11 Si11 0.11638198 0.57227277 0.10232398 T T T # 12 Si12 0.99179012 0.50446442 0.27036070 F F F # 13 Si13 0.99179012 0.30071101 0.18702736 F F F # 14 Si14 0.11679012 0.50446442 0.35369403 F F F # 15 Si15 0.11679012 0.30071101 0.10369403 F F F # 16 Si16 0.99179012 0.36862881 0.60369403 F F F # 17 Si17 0.99179012 0.43654662 0.52036070 F F F # 18 Si18 0.11679012 0.36862881 0.68702736 F F F # 19 Si19 0.11679012 0.43654662 0.43702736 F F F # 20 Si20 0.99562824 0.64192118 0.60305116 T T T # 21 Si21 0.99387731 0.16305803 0.52079717 T T T # 22 Si22 0.11941444 0.64104092 0.68877894 T T T # 23 Si23 0.11885492 0.16309865 0.43624769 T T T # 24 Si24 0.99182680 0.23251427 0.60278924 F F F # 25 Si25 0.49166056 0.57464116 0.52202313 T T T # 26 Si26 0.11681092 0.23253959 0.68778003 F F F # 27 Si27 0.11731199 0.57370807 0.43531230 T T T # 28 Si28 0.99179012 0.50446442 0.60369403 F F F # 29 Si29 0.99179012 0.30071101 0.52036070 F F F # 30 Si30 0.11679012 0.50446442 0.68702736 F F F # 31 Si31 0.11679012 0.30071101 0.43702736 F F F # 32 Si32 0.99179012 0.36862881 0.93702736 F F F # 33 Si33 0.99179012 0.43654662 0.85369403 F F F # 34 Si34 0.11679012 0.36862881 0.02036070 F F F # 35 Si35 0.11679012 0.43654662 0.77036070 F F F # 36 Si36 0.99358515 0.64174628 0.93627046 T T T # 37 Si37 0.99382668 0.16307627 0.85418342 T T T # 38 Si38 0.11820305 0.64186325 0.02099557 T T T # 39 Si39 0.11885290 0.16304965 0.76964282 T T T # 40 Si40 0.99185407 0.23252424 0.93622938 F F F # 41 Si41 0.49297702 0.57228207 0.85567216 T T T # 42 Si42 0.11683267 0.23253583 0.02119253 F F F # 43 Si43 0.11699820 0.57204225 0.77047625 T T T # 44 Si44 0.99179012 0.50446442 0.93702736 F F F # 45 Si45 0.99179012 0.30071101 0.85369403 F F F # 46 Si46 0.11679012 0.50446442 0.02036070 F F F # 47 Si47 0.11679012 0.30071101 0.77036070 F F F # 48 Si48 0.24179012 0.36862881 0.27036070 F F F # 49 Si49 0.24179012 0.43654662 0.18702736 F F F # 50 Si50 0.36679012 0.36862881 0.35369403 F F F # 51 Si51 0.36679012 0.43654662 0.10369403 F F F # 52 Si52 0.24289693 0.64080691 0.26622554 T T T # 53 Si53 0.24360624 0.16298616 0.18755808 T T T # 54 Si54 0.36601113 0.64224123 0.35211136 T T T # 55 Si55 0.36860083 0.16299001 0.10300532 T T T # 56 Si56 0.24188054 0.23251895 0.26940897 F F F # 57 Si57 0.24161830 0.57171368 0.18594566 T T T # 58 Si58 0.36689229 0.23259584 0.35433710 F F F # 59 Si59 0.36719092 0.57234589 0.10256512 T T T # 60 Si60 0.24179012 0.50446442 0.27036070 F F F # 61 Si61 0.24179012 0.30071101 0.18702736 F F F # 62 Si62 0.36679012 0.50446442 0.35369403 F F F # 63 Si63 0.36679012 0.30071101 0.10369403 F F F # 64 Si64 0.24179012 0.36862881 0.60369403 F F F # 65 Si65 0.24179012 0.43654662 0.52036070 F F F # 66 Si66 0.36679012 0.36862881 0.68702736 F F F # 67 Si67 0.36679012 0.43654662 0.43702736 F F F # 68 Si68 0.24594545 0.64135228 0.60681470 T T T # 69 Si69 0.24387827 0.16309314 0.52081178 T T T # 70 Si70 0.36906782 0.63989027 0.69281724 T T T # 71 Si71 0.36883867 0.16311299 0.43623995 T T T # 72 Si72 0.24183484 0.23253144 0.60284542 F F F # 73 Si73 0.24216596 0.57325233 0.52097064 T T T # 74 Si74 0.36685638 0.23252968 0.68778677 F F F # 75 Si75 0.36719973 0.57324435 0.43582439 T T T # 76 Si76 0.24179012 0.50446442 0.60369403 F F F # 77 Si77 0.24179012 0.30071101 0.52036070 F F F # 78 Si78 0.36679012 0.50446442 0.68702736 F F F # 79 Si79 0.36679012 0.30071101 0.43702736 F F F # 80 Si80 0.24179012 0.36862881 0.93702736 F F F # 81 Si81 0.24179012 0.43654662 0.85369403 F F F # 82 Si82 0.36679012 0.36862881 0.02036070 F F F # 83 Si83 0.36679012 0.43654662 0.77036070 F F F # 84 Si84 0.24349478 0.64174668 0.93735991 T T T # 85 Si85 0.24382676 0.16309557 0.85419557 T T T # 86 Si86 0.36902950 0.64193836 0.02112881 T T T # 87 Si87 0.36885055 0.16303682 0.76964012 T T T # 88 Si88 0.24185332 0.23253180 0.93627842 F F F # 89 Si89 0.24177657 0.57232760 0.85539297 T T T # 90 Si90 0.36685548 0.23253769 0.02119181 F F F # 91 Si91 0.36772678 0.57108966 0.77260142 T T T # 92 Si92 0.24179012 0.50446442 0.93702736 F F F # 93 Si93 0.24179012 0.30071101 0.85369403 F F F # 94 Si94 0.36679012 0.50446442 0.02036070 F F F # 95 Si95 0.36679012 0.30071101 0.77036070 F F F # 96 Si96 0.49179012 0.36862881 0.27036070 F F F # 97 Si98 0.49179012 0.43654662 0.18702736 F F F # 98 Si99 0.61679012 0.36862881 0.35369403 F F F # 99 Si100 0.61679012 0.43654662 0.10369403 F F F # 100 Si101 0.49262743 0.64229907 0.26967156 T T T # 101 Si102 0.49360923 0.16299813 0.18752705 T T T # 102 Si103 0.61942903 0.64126570 0.35155959 T T T # 103 Si104 0.61861296 0.16299011 0.10300180 T T T # 104 Si105 0.49186703 0.23251943 0.26940375 F F F # 105 Si106 0.49189122 0.57263192 0.18796213 T T T # 106 Si107 0.61688990 0.23259654 0.35433368 F F F # 107 Si108 0.61680886 0.57241530 0.10287986 T T T # 108 Si109 0.49179012 0.50446442 0.27036070 F F F # 109 Si110 0.49179012 0.30071101 0.18702736 F F F # 110 Si111 0.61679012 0.50446442 0.35369403 F F F # 111 Si112 0.61679012 0.30071101 0.10369403 F F F # 112 Si113 0.49179012 0.36862881 0.60369403 F F F # 113 Si114 0.49179012 0.43654662 0.52036070 F F F # 114 Si115 0.61679012 0.36862881 0.68702736 F F F # 115 Si116 0.61679012 0.43654662 0.43702736 F F F # 116 Si117 0.49281237 0.64390343 0.60826839 T T T # 117 Si118 0.49387820 0.16308644 0.52075635 T T T # 118 Si119 0.61997757 0.64148860 0.68938561 T T T # 119 Si120 0.61887920 0.16312277 0.43625636 T T T # 120 Si121 0.49182680 0.23251427 0.60278924 F F F # 121 Si122 0.99255443 0.57261571 0.52077758 T T T # 122 Si123 0.61681092 0.23253959 0.68778003 F F F # 123 Si124 0.61641592 0.57293489 0.43644818 T T T # 124 Si125 0.49179012 0.50446442 0.60369403 F F F # 125 Si126 0.49179012 0.30071101 0.52036070 F F F # 126 Si127 0.61679012 0.50446442 0.68702736 F F F # 127 Si128 0.61679012 0.30071101 0.43702736 F F F # 128 Si129 0.49179012 0.36862881 0.93702736 F F F # 129 Si130 0.49179012 0.43654662 0.85369403 F F F # 130 Si131 0.61679012 0.36862881 0.02036070 F F F # 131 Si132 0.61679012 0.43654662 0.77036070 F F F # 132 Si133 0.49418291 0.64189612 0.93701152 T T T # 133 Si134 0.49382144 0.16308715 0.85417538 T T T # 134 Si135 0.61911294 0.64188095 0.02118669 T T T # 135 Si136 0.61885564 0.16305519 0.76965243 T T T # 136 Si137 0.49185407 0.23252424 0.93622938 F F F # 137 Si138 0.99180021 0.57232337 0.85461099 T T T # 138 Si139 0.61683267 0.23253583 0.02119253 F F F # 139 Si140 0.61739478 0.57203203 0.77028937 T T T # 140 Si141 0.49179012 0.50446442 0.93702736 F F F # 141 Si142 0.49179012 0.30071101 0.85369403 F F F # 142 Si143 0.61679012 0.50446442 0.02036070 F F F # 143 Si144 0.61679012 0.30071101 0.77036070 F F F # 144 Si145 0.74179012 0.36862881 0.27036070 F F F # 145 Si146 0.74179012 0.43654662 0.18702736 F F F # 146 Si147 0.86679012 0.36862881 0.35369403 F F F # 147 Si148 0.86679012 0.43654662 0.10369403 F F F # 148 Si149 0.74440762 0.64084777 0.26801278 T T T # 149 Si150 0.74361087 0.16299160 0.18754211 T T T # 150 Si151 0.86903871 0.64158573 0.35338949 T T T # 151 Si152 0.86861611 0.16298552 0.10300297 T T T # 152 Si153 0.74188054 0.23251895 0.26940897 F F F # 153 Si154 0.74247705 0.57188082 0.18649674 T T T # 154 Si155 0.86689229 0.23259584 0.35433710 F F F # 155 Si156 0.86704983 0.57219641 0.10204584 T T T # 156 Si157 0.74179012 0.50446442 0.27036070 F F F # 157 Si158 0.74179012 0.30071101 0.18702736 F F F # 158 Si159 0.86679012 0.50446442 0.35369403 F F F # 159 Si160 0.86679012 0.30071101 0.10369403 F F F # 160 Si161 0.74179012 0.36862881 0.60369403 F F F # 161 Si162 0.74179012 0.43654662 0.52036070 F F F # 162 Si163 0.86679012 0.36862881 0.68702736 F F F # 163 Si164 0.86679012 0.43654662 0.43702736 F F F # 164 Si165 0.74436852 0.64149751 0.60386513 T T T # 165 Si166 0.74389580 0.16308527 0.52082565 T T T # 166 Si167 0.87006666 0.64196348 0.68733556 T T T # 167 Si168 0.86885382 0.16309579 0.43623962 T T T # 168 Si169 0.74183484 0.23253144 0.60284542 F F F # 169 Si170 0.74195670 0.57247605 0.52099943 T T T # 170 Si171 0.86685638 0.23252968 0.68778677 F F F # 171 Si172 0.86713945 0.57253683 0.43626641 T T T # 172 Si173 0.74179012 0.50446442 0.60369403 F F F # 173 Si174 0.74179012 0.30071101 0.52036070 F F F # 174 Si175 0.86679012 0.50446442 0.68702736 F F F # 175 Si176 0.86679012 0.30071101 0.43702736 F F F # 176 Si177 0.74179012 0.36862881 0.93702736 F F F # 177 Si178 0.74179012 0.43654662 0.85369403 F F F # 178 Si179 0.86679012 0.36862881 0.02036070 F F F # 179 Si180 0.86679012 0.43654662 0.77036070 F F F # 180 Si181 0.74406262 0.64177304 0.93648033 T T T # 181 Si182 0.74383005 0.16309509 0.85420275 T T T # 182 Si183 0.86872683 0.64171532 0.02068975 T T T # 183 Si184 0.86885072 0.16303127 0.76964810 T T T # 184 Si185 0.74185332 0.23253180 0.93627842 F F F # 185 Si186 0.74241014 0.57239404 0.85456156 T T T # 186 Si187 0.86685548 0.23253769 0.02119181 F F F # 187 Si188 0.86725211 0.57255657 0.76937726 T T T # 188 Si189 0.74179012 0.50446442 0.93702736 F F F # 189 Si190 0.74179012 0.30071101 0.85369403 F F F # 190 Si191 0.86679012 0.50446442 0.02036070 F F F # 191 Si192 0.86679012 0.30071101 0.77036070 F F F # 192 Si193 0.46638624 0.76548615 0.56112672 T T T # 193 Si194 0.99884364 0.11720790 0.25336358 T T T # 194 O1 0.12383654 0.11722635 0.03717690 T T T # 195 O2 0.99900456 0.11722754 0.58652438 T T T # 196 O3 0.12389065 0.11731462 0.37043398 T T T # 197 O4 0.99889306 0.11726052 0.91992885 T T T # 198 O5 0.12401229 0.11727402 0.70382524 T T T # 199 O6 0.24885214 0.11720498 0.25335616 T T T # 200 O7 0.37381639 0.11722561 0.03717483 T T T # 201 O8 0.24901795 0.11728110 0.58657162 T T T # 202 O9 0.37385469 0.11733179 0.37041241 T T T # 203 O10 0.24888228 0.11726968 0.91993277 T T T # 204 O11 0.37399462 0.11723571 0.70385347 T T T # 205 O12 0.99772613 0.68704178 0.20183759 T T T # 206 O13 0.12225293 0.69177258 0.40496798 T T T # 207 O14 0.00365851 0.68787078 0.53861922 T T T # 208 O15 0.12349007 0.68696185 0.75483202 T T T # 209 O16 0.99860147 0.68761718 0.87058470 T T T # 210 O17 0.12247176 0.68792764 0.08597539 T T T # 211 O18 0.24911385 0.68681457 0.20056636 T T T # 212 O19 0.36527695 0.68918558 0.41277633 T T T # 213 O20 0.25246679 0.68756008 0.54435751 T T T # 214 O21 0.37322546 0.68629408 0.75796387 T T T # 215 O22 0.24771731 0.68768842 0.87162614 T T T # 216 O23 0.37404147 0.68775267 0.08663531 T T T # 217 O24 0.49883115 0.11722726 0.25336034 T T T # 218 O29 0.62380350 0.11722041 0.03718411 T T T # 219 O30 0.49897916 0.11728687 0.58655809 T T T # 220 O31 0.62383933 0.11733695 0.37042769 T T T # 221 O32 0.49886176 0.11727091 0.91993582 T T T # 222 O33 0.62397657 0.11726069 0.70385270 T T T # 223 O34 0.74881486 0.11720911 0.25334185 T T T # 224 O35 0.87381924 0.11722571 0.03717526 T T T # 225 O36 0.74896302 0.11723627 0.58652821 T T T # 226 O37 0.87383307 0.11729661 0.37044940 T T T # 227 O38 0.74885617 0.11726415 0.91992566 T T T # 228 O39 0.87397339 0.11723492 0.70386912 T T T # 229 O40 0.49892170 0.68801080 0.20355293 T T T # 230 O41 0.63343392 0.68703188 0.41509728 T T T # 231 O42 0.48979558 0.69372495 0.55421565 T T T # 232 O43 0.62643395 0.68664373 0.75663340 T T T # 233 O44 0.49933544 0.68769153 0.87129328 T T T # 234 O45 0.62396821 0.68771425 0.08687719 T T T # 235 O46 0.74919170 0.68720926 0.20314869 T T T # 236 O47 0.87525792 0.68728150 0.41931488 T T T # 237 O48 0.74840009 0.68713011 0.53778756 T T T # 238 O49 0.87442030 0.68779879 0.75330496 T T T # 239 O50 0.74997342 0.68763564 0.87110334 T T T # 240 O51 0.87300818 0.68771953 0.08589634 T T T # 241 O52 0.37976860 0.78126847 0.53758030 T T T # 242 O53 0.50618298 0.77196852 0.64402478 T T T # 243 O54 0.53334107 0.77801215 0.48619901 T T T # 244 O55 0.25560802 0.79065200 0.60930339 T T T # 245 O56 0.44986850 0.11474955 0.29317672 T T T # 246 H1 0.07489609 0.11470594 0.99735880 T T T # 247 H2 0.45003342 0.11482366 0.62637991 T T T # 248 H3 0.07489832 0.11480393 0.33065911 T T T # 249 H4 0.44989621 0.11477761 0.95972506 T T T # 250 H5 0.07506186 0.11477520 0.66401925 T T T # 251 H6 0.19988896 0.11469902 0.29316555 T T T # 252 H7 0.32487996 0.11472337 0.99734572 T T T # 253 H8 0.20006427 0.11479755 0.62637891 T T T # 254 H9 0.32487181 0.11484579 0.33061336 T T T # 255 H10 0.19990978 0.11475755 0.95971004 T T T # 256 H11 0.32505990 0.11478311 0.66401532 T T T # 257 H12 0.44996327 0.69049302 0.16367828 T T T # 258 H13 0.08879062 0.69314939 0.45618399 T T T # 259 H14 0.07427291 0.68918087 0.79455407 T T T # 260 H16 0.45019747 0.68960795 0.83126400 T T T # 261 H17 0.07365455 0.69011822 0.12622591 T T T # 262 H18 0.19951590 0.69003579 0.16162004 T T T # 263 H19 0.32106880 0.68958586 0.45694643 T T T # 264 H20 0.32413295 0.68853507 0.79793782 T T T # 265 H22 0.19886177 0.68954582 0.83143794 T T T # 266 H23 0.32484177 0.68983748 0.12669143 T T T # 267 H24 0.15825016 0.78924247 0.68945917 T T T # 268 H35 0.19381038 0.87333756 0.66432838 T T T # 269 H38 0.94988016 0.11468711 0.29316097 T T T # 270 H45 0.57487655 0.11472570 0.99734592 T T T # 271 H46 0.95005919 0.11473249 0.62632499 T T T # 272 H47 0.57487132 0.11488496 0.33060745 T T T # 273 H48 0.94991865 0.11473423 0.95969517 T T T # 274 H49 0.57504789 0.11482531 0.66401200 T T T # 275 H50 0.69986772 0.11473148 0.29316791 T T T # 276 H51 0.82488628 0.11470964 0.99735136 T T T # 277 H52 0.70004541 0.11479141 0.62637611 T T T # 278 H53 0.82487072 0.11481858 0.33063821 T T T # 279 H54 0.69989770 0.11475740 0.95971420 T T T # 280 H55 0.82504449 0.11475811 0.66404306 T T T # 281 H56 0.94862773 0.68972398 0.16220496 T T T # 282 H57 0.59085140 0.70814778 0.43416354 T T T # 283 H58 0.95688176 0.69049151 0.49696489 T T T # 284 H59 0.57657368 0.68957601 0.79535061 T T T # 285 H60 0.94973894 0.69007336 0.83058540 T T T # 286 H61 0.57498407 0.69011948 0.12675305 T T T # 287 H62 0.70003500 0.68976212 0.16353824 T T T # 288 H63 0.82715572 0.68959075 0.45980735 T T T # 289 H64 0.33688868 0.76170373 0.57451626 T T T # 290 H65 0.82561384 0.68998516 0.79335072 T T T # 291 H66 0.70121175 0.68960774 0.83061111 T T T # 292 H67 0.82424661 0.68995339 0.12608537 T T T # 293 H68 0.57881197 0.81853630 0.66874906 T T T # 294 H69 0.48698144 0.83317951 0.65384134 T T T # 295 H70 0.52576770 0.84071323 0.80066787 T T T # 296 H71 0.54665687 0.78975344 0.79915134 T T T # 297 H72 0.45593006 0.80485018 0.78536042 T T T # 298 H73 0.62837967 0.79649645 0.53240941 T T T # 299 H74 0.63708753 0.78446526 0.43439267 T T T # 300 H75 0.65020944 0.85948552 0.43406174 T T T # 301 H76 0.56251512 0.86022329 0.48532150 T T T # 302 H77 0.57035129 0.84724559 0.38743730 T T T # 303 H78 0.26083764 0.77964346 0.73191199 T T T # 304 H80 0.20234149 0.85897393 0.76705967 T T T # 305 H81 0.29588999 0.86357296 0.70832085 T T T # 306 H83 0.39848034 0.80102742 0.41794053 T T T # 307 H84 0.30288144 0.77448931 0.43568098 T T T # 308 H85 0.28353879 0.85612308 0.41227263 T T T # 309 H86 0.35138138 0.86863411 0.49573039 T T T # 310 H87 0.25521531 0.84161626 0.51251126 T T T # 311 H88 0.24689355 0.72041413 0.56758500 T T T # 312 H89 0.70084316 0.68767229 0.49607269 T T T # 313 H79 0.52207446 0.81113344 0.68137528 T T T # 314 C9 0.51184916 0.81155087 0.77192702 T T T # 315 C10 0.60275269 0.79988937 0.47584782 T T T # 316 C11 0.59564413 0.84418670 0.44386277 T T T # 317 C12 0.22460236 0.80073786 0.68811237 T T T # 318 C13 0.22954735 0.85213299 0.70775167 T T T # 319 C14 0.34749363 0.79885714 0.46009630 T T T # 320 C15 0.30729269 0.84389518 0.47143953 T T T # 321 C16