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 0.92060879 0.34013076 0.14106756 F F F # 1 Si1 0.92060879 0.40359022 0.05773423 F F F # 2 Si2 0.08727546 0.34013076 0.22440089 F F F # 3 Si3 0.08727546 0.40359022 0.97440089 F F F # 4 Si4 0.92266394 0.59476859 0.13797704 T T T # 5 Si5 0.91747204 0.14802218 0.05843248 T T T # 6 Si6 0.08886480 0.59627175 0.22186355 T T T # 7 Si7 0.08414128 0.14799537 0.97374688 T T T # 8 Si8 0.91993199 0.21296943 0.14024520 T T T # 9 Si9 0.91987826 0.53003117 0.05754717 T T T # 10 Si10 0.08658773 0.21294763 0.22531648 T T T # 11 Si11 0.08684448 0.53028321 0.97385922 T T T # 12 Si12 0.92060879 0.46704968 0.14106756 F F F # 13 Si13 0.92060879 0.27667130 0.05773423 F F F # 14 Si14 0.08727546 0.46704968 0.22440089 F F F # 15 Si15 0.08727546 0.27667130 0.97440089 F F F # 16 Si16 0.92060879 0.34013076 0.47440089 F F F # 17 Si17 0.92060879 0.40359022 0.39106756 F F F # 18 Si18 0.08727546 0.34013076 0.55773423 F F F # 19 Si19 0.08727546 0.40359022 0.30773423 F F F # 20 Si20 0.92700203 0.59505515 0.47394934 T T T # 21 Si21 0.91736943 0.14797968 0.39178309 T T T # 22 Si22 0.09323253 0.59445647 0.55885233 T T T # 23 Si23 0.08403127 0.14796565 0.30712957 T T T # 24 Si24 0.92001219 0.21297166 0.47353485 T T T # 25 Si25 0.92264666 0.53051236 0.39138219 T T T # 26 Si26 0.08665953 0.21299143 0.55858979 T T T # 27 Si27 0.08879399 0.53154725 0.30584478 T T T # 28 Si28 0.92060879 0.46704968 0.47440089 F F F # 29 Si29 0.92060879 0.27667130 0.39106756 F F F # 30 Si30 0.08727546 0.46704968 0.55773423 F F F # 31 Si31 0.08727546 0.27667130 0.30773423 F F F # 32 Si32 0.92060879 0.34013076 0.80773423 F F F # 33 Si33 0.92060879 0.40359022 0.72440089 F F F # 34 Si34 0.08727546 0.34013076 0.89106756 F F F # 35 Si35 0.08727546 0.40359022 0.64106756 F F F # 36 Si36 0.92419440 0.59541567 0.80724803 T T T # 37 Si37 0.91728512 0.14801972 0.72508604 T T T # 38 Si38 0.08977515 0.59518037 0.89298281 T T T # 39 Si39 0.08394728 0.14805926 0.64043666 T T T # 40 Si40 0.92033066 0.21296305 0.80687472 T T T # 41 Si41 0.92160507 0.53057858 0.72528065 T T T # 42 Si42 0.08698929 0.21296423 0.89197532 T T T # 43 Si43 0.08934741 0.53034738 0.64155097 T T T # 44 Si44 0.92060879 0.46704968 0.80773423 F F F # 45 Si45 0.92060879 0.27667130 0.72440089 F F F # 46 Si46 0.08727546 0.46704968 0.89106756 F F F # 47 Si47 0.08727546 0.27667130 0.64106756 F F F # 48 Si48 0.25394212 0.34013076 0.14106756 F F F # 49 Si49 0.25394212 0.40359022 0.05773423 F F F # 50 Si50 0.42060879 0.34013076 0.22440089 F F F # 51 Si51 0.42060879 0.40359022 0.97440089 F F F # 52 Si52 0.25598614 0.59522575 0.13860945 T T T # 53 Si53 0.25079672 0.14800442 0.05843357 T T T # 54 Si54 0.42148686 0.59567234 0.22411842 T T T # 55 Si55 0.41747131 0.14798714 0.97375395 T T T # 56 Si56 0.25325764 0.21296215 0.14023034 T T T # 57 Si57 0.25400562 0.53024373 0.05812410 T T T # 58 Si58 0.41989428 0.21295698 0.22530953 T T T # 59 Si59 0.42133607 0.53000316 0.97483105 T T T # 60 Si60 0.25394212 0.46704968 0.14106756 F F F # 61 Si61 0.25394212 0.27667130 0.05773423 F F F # 62 Si62 0.42060879 0.46704968 0.22440089 F F F # 63 Si63 0.42060879 0.27667130 0.97440089 F F F # 64 Si64 0.25394212 0.34013076 0.47440089 F F F # 65 Si65 0.25394212 0.40359022 0.39106756 F F F # 66 Si66 0.42060879 0.34013076 0.55773423 F F F # 67 Si67 0.42060879 0.40359022 0.30773423 F F F # 68 Si68 0.26210726 0.59463499 0.47579909 T T T # 69 Si69 0.25068658 0.14799421 0.39175945 T T T # 70 Si70 0.43040882 0.60039550 0.55710893 T T T # 71 Si71 0.41737962 0.14798866 0.30711999 T T T # 72 Si72 0.25330548 0.21297955 0.47354228 T T T # 73 Si73 0.25491953 0.53129616 0.39135074 T T T # 74 Si74 0.42003666 0.21302364 0.55852036 T T T # 75 Si75 0.42155510 0.53077120 0.30617239 T T T # 76 Si76 0.25394212 0.46704968 0.47440089 F F F # 77 Si77 0.25394212 0.27667130 0.39106756 F F F # 78 Si78 0.42060879 0.46704968 0.55773423 F F F # 79 Si79 0.42060879 0.27667130 0.30773423 F F F # 80 Si80 0.25394212 0.34013076 0.80773423 F F F # 81 Si81 0.25394212 0.40359022 0.72440089 F F F # 82 Si82 0.42060879 0.34013076 0.89106756 F F F # 83 Si83 0.42060879 0.40359022 0.64106756 F F F # 84 Si84 0.25713630 0.59574702 0.81005971 T T T # 85 Si85 0.25061953 0.14802588 0.72508687 T T T # 86 Si86 0.42318243 0.59468078 0.89423017 T T T # 87 Si87 0.41728425 0.14811305 0.64043193 T T T # 88 Si88 0.25365381 0.21296210 0.80688235 T T T # 89 Si89 0.25666186 0.53133597 0.72603601 T T T # 90 Si90 0.42031662 0.21295748 0.89198408 T T T # 91 Si91 0.42278538 0.53322465 0.63965264 T T T # 92 Si92 0.25394212 0.46704968 0.80773423 F F F # 93 Si93 0.25394212 0.27667130 0.72440089 F F F # 94 Si94 0.42060879 0.46704968 0.89106756 F F F # 95 Si95 0.42060879 0.27667130 0.64106756 F F F # 96 Si96 0.58727546 0.34013076 0.14106756 F F F # 97 Si97 0.58727546 0.40359022 0.05773423 F F F # 98 Si98 0.75394212 0.34013076 0.22440089 F F F # 99 Si99 0.75394212 0.40359022 0.97440089 F F F # 100 Si100 0.58997744 0.59588105 0.14110346 T T T # 101 Si101 0.58413298 0.14802745 0.05843316 T T T # 102 Si102 0.75828332 0.59537424 0.22421321 T T T # 103 Si103 0.75080580 0.14801139 0.97374962 T T T # 104 Si104 0.58659588 0.21297468 0.14026043 T T T # 105 Si105 0.58788181 0.53075688 0.05933840 T T T # 106 Si106 0.75326160 0.21295822 0.22532613 T T T # 107 Si107 0.75359230 0.53060628 0.97316885 T T T # 108 Si108 0.58727546 0.46704968 0.14106756 F F F # 109 Si109 0.58727546 0.27667130 0.05773423 F F F # 110 Si110 0.75394212 0.46704968 0.22440089 F F F # 111 Si111 0.75394212 0.27667130 0.97440089 F F F # 112 Si112 0.58727546 0.34013076 0.47440089 F F F # 113 Si113 0.58727546 0.40359022 0.39106756 F F F # 114 Si114 0.75394212 0.34013076 0.55773423 F F F # 115 Si115 0.75394212 0.40359022 0.30773423 F F F # 116 Si116 0.59290294 0.59382742 0.47041921 T T T # 117 Si117 0.58402518 0.14799787 0.39177131 T T T # 118 Si118 0.75851510 0.59410023 0.55672063 T T T # 119 Si119 0.75072228 0.14799152 0.30713921 T T T # 120 Si120 0.58670581 0.21297827 0.47351150 T T T # 121 Si121 0.58973050 0.52966959 0.38944674 T T T # 122 Si122 0.75335548 0.21300789 0.55857028 T T T # 123 Si123 0.75621958 0.53046758 0.30598374 T T T # 124 Si124 0.58727546 0.46704968 0.47440089 F F F # 125 Si125 0.58727546 0.27667130 0.39106756 F F F # 126 Si126 0.75394212 0.46704968 0.55773423 F F F # 127 Si127 0.75394212 0.27667130 0.30773423 F F F # 128 Si128 0.58727546 0.34013076 0.80773423 F F F # 129 Si129 0.58727546 0.40359022 0.72440089 F F F # 130 Si130 0.75394212 0.34013076 0.89106756 F F F # 131 Si131 0.75394212 0.40359022 0.64106756 F F F # 132 Si132 0.58822939 0.59461043 0.80856509 T T T # 133 Si133 0.58396625 0.14802505 0.72508032 T T T # 134 Si134 0.75641753 0.59555515 0.89114045 T T T # 135 Si135 0.75062094 0.14808622 0.64042010 T T T # 136 Si136 0.58697097 0.21295843 0.80686941 T T T # 137 Si137 0.58789621 0.53039856 0.72539259 T T T # 138 Si138 0.75364361 0.21297230 0.89195457 T T T # 139 Si139 0.75494569 0.53021774 0.64046042 T T T # 140 Si140 0.58727546 0.46704968 0.80773423 F F F # 141 Si141 0.58727546 0.27667130 0.72440089 F F F # 142 Si142 0.75394212 0.46704968 0.89106756 F F F # 143 Si143 0.75394212 0.27667130 0.64106756 F F F # 144 Si144 0.72533919 0.77085483 0.57126200 T T T # 145 Si145 0.61185497 0.77313317 0.39697306 T T T # 146 Si146 0.47080205 0.73763238 0.55093456 T T T # 147 Si147 0.92832710 0.63793028 0.07273809 T T T # 148 O1 0.91077221 0.10522128 0.12427360 T T T # 149 O2 0.09325959 0.64175657 0.27764784 T T T # 150 O3 0.07735699 0.10517904 0.90794575 T T T # 151 O4 0.93523980 0.63798934 0.40867513 T T T # 152 O5 0.91075121 0.10518287 0.45764934 T T T # 153 O6 0.10112417 0.63798459 0.62369745 T T T # 154 O7 0.07746829 0.10519330 0.24123667 T T T # 155 O8 0.93224246 0.63812253 0.74079878 T T T # 156 O9 0.91068178 0.10515594 0.79079307 T T T # 157 O10 0.09546077 0.63821522 0.95833078 T T T # 158 O11 0.07736808 0.10525604 0.57456496 T T T # 159 O12 0.26387177 0.63816205 0.07291744 T T T # 160 O13 0.24410323 0.10521228 0.12428248 T T T # 161 O14 0.42447057 0.63861118 0.28989339 T T T # 162 O15 0.41072352 0.10516938 0.90795259 T T T # 163 O16 0.26624464 0.63934502 0.41214095 T T T # 164 O17 0.24407856 0.10521918 0.45766619 T T T # 165 O18 0.43807734 0.64870381 0.60019801 T T T # 166 O19 0.41082247 0.10521114 0.24122795 T T T # 167 O20 0.26652157 0.64049108 0.75218851 T T T # 168 O21 0.24406728 0.10514851 0.79077144 T T T # 169 O22 0.43161970 0.63781672 0.95937428 T T T # 170 O23 0.41071226 0.10532550 0.57450989 T T T # 171 O24 0.59718357 0.63853528 0.07485090 T T T # 172 O25 0.57747434 0.10523935 0.12430185 T T T # 173 O26 0.76907444 0.63834292 0.28924448 T T T # 174 O27 0.74401220 0.10519562 0.90794941 T T T # 175 O28 0.59937852 0.63732112 0.40446653 T T T # 176 O29 0.57742417 0.10521066 0.45766944 T T T # 177 O30 0.76170976 0.63611827 0.62535289 T T T # 178 O31 0.74418177 0.10522059 0.24121397 T T T # 179 O32 0.59235540 0.63774417 0.74302790 T T T # 180 O33 0.57737176 0.10514119 0.79074729 T T T # 181 O34 0.76244607 0.63863762 0.95652650 T T T # 182 O35 0.74402779 0.10528786 0.57451861 T T T # 183 O36 0.59016258 0.82629913 0.37879859 T T T # 184 O37 0.40545091 0.76775031 0.61710406 T T T # 185 O38 0.70469002 0.82105072 0.60131051 T T T # 186 O39 0.26122880 0.70601855 0.51550899 T T T # 187 O40 0.64272026 0.74603996 0.31320195 T T T # 188 O41 0.84860912 0.75764777 0.61398320 T T T # 189 O42 0.86317933 0.64025569 0.03274342 T T T # 190 H1 0.97612172 0.10298573 0.16407679 T T T # 191 H2 0.04551754 0.64228081 0.32768114 T T T # 192 H3 0.14266319 0.10289884 0.86813712 T T T # 193 H4 0.87275154 0.63967784 0.36656461 T T T # 194 H5 0.97605975 0.10300891 0.49752390 T T T # 195 H6 0.03796254 0.63999270 0.66535572 T T T # 196 H7 0.14277850 0.10300561 0.20137410 T T T # 197 H8 0.86680242 0.63994584 0.70102615 T T T # 198 H9 0.97597348 0.10292063 0.83063350 T T T # 199 H10 0.03007182 0.64033106 0.99833146 T T T # 200 H11 0.14270878 0.10306357 0.53473214 T T T # 201 H12 0.19804366 0.64064127 0.03339844 T T T # 202 H13 0.30944498 0.10297846 0.16409163 T T T # 203 H14 0.35568636 0.64121727 0.32679557 T T T # 204 H15 0.47601999 0.10290078 0.86813120 T T T # 205 H16 0.25610190 0.66717797 0.44027536 T T T # 206 H17 0.30939694 0.10307228 0.49754278 T T T # 207 H18 0.27057485 0.68101742 0.55999417 T T T # 208 H19 0.47612544 0.10304637 0.20135201 T T T # 209 H20 0.21551092 0.64159274 0.70394190 T T T # 210 H21 0.30934180 0.10292628 0.83062822 T T T # 211 H22 0.36560170 0.64030805 0.99887402 T T T # 212 H23 0.47607211 0.10314230 0.53467827 T T T # 213 H24 0.53189627 0.64030370 0.03460236 T T T # 214 H25 0.64281733 0.10303476 0.16412288 T T T # 215 H26 0.70324643 0.64178143 0.32828361 T T T # 216 H27 0.80931613 0.10291944 0.86813173 T T T # 217 H28 0.53216582 0.63936382 0.36629356 T T T # 218 H29 0.64273534 0.10308644 0.49756376 T T T # 219 H30 0.69489073 0.63694893 0.66416082 T T T # 220 H31 0.80948668 0.10307648 0.20133080 T T T # 221 H32 0.52163080 0.64412519 0.71083048 T T T # 222 H33 0.64264328 0.10291287 0.83060479 T T T # 223 H34 0.69755296 0.64063668 0.99673688 T T T # 224 H35 0.80939579 0.10309036 0.53470319 T T T # 225 H36 0.79420050 0.76280280 0.73608543 T T T # 226 H37 0.92703230 0.73550962 0.71723884 T T T # 227 H38 0.96224019 0.80871081 0.77872494 T T T # 228 H39 0.88287349 0.83473549 0.69835734 T T T # 229 H40 0.01599670 0.80789140 0.67646636 T T T # 230 H41 0.29216408 0.81460288 0.57224464 T T T # 231 H42 0.22964155 0.76784796 0.62257034 T T T # 232 H43 0.21433987 0.83285203 0.71266570 T T T # 233 H44 0.36876854 0.83875521 0.70884995 T T T # 234 H45 0.30354319 0.79129177 0.75657050 T T T # 235 H46 0.29296981 0.77940939 0.45899371 T T T # 236 H47 0.39697740 0.82118613 0.45060868 T T T # 237 H48 0.26615952 0.81876273 0.33056312 T T T # 238 H49 0.30887487 0.76380974 0.30901532 T T T # 239 H50 0.40986398 0.80786895 0.30060302 T T T # 240 H51 0.52758371 0.72375361 0.22645242 T T T # 241 H52 0.54141005 0.78203408 0.23164138 T T T # 242 H53 0.64224424 0.75104631 0.10882146 T T T # 243 H54 0.73252598 0.71883933 0.17348636 T T T # 244 H55 0.74209109 0.77731976 0.17622848 T T T # 245 H56 0.08637708 0.69911038 0.54567616 T T T # 246 H57 0.14593073 0.75203593 0.56656499 T T T # 247 H58 0.01140322 0.75342558 0.45545966 T T T # 248 H59 0.09839569 0.71583316 0.39738606 T T T # 249 H60 0.15128587 0.77058183 0.42224807 T T T # 250 H61 0.76014215 0.84866036 0.38296620 T T T # 251 H62 0.70279544 0.84062217 0.28190986 T T T # 252 H63 0.71633610 0.92025989 0.31363637 T T T # 253 H64 0.62861866 0.91221831 0.40283154 T T T # 254 H65 0.56928326 0.90416120 0.30224545 T T T # 255 H66 0.58165889 0.85156931 0.52626175 T T T # 256 H67 0.54029877 0.84342851 0.63069855 T T T # 257 H68 0.69484698 0.89587992 0.67600697 T T T # 258 H69 0.59397621 0.92096121 0.60622026 T T T # 259 H70 0.73523723 0.90404688 0.57170487 T T T # 260 H71 0.77256241 0.73083584 0.45025681 T T T # 261 H72 0.81026292 0.78669461 0.43758059 T T T # 262 H73 0.44693863 0.72456677 0.40602228 T T T # 263 H74 0.64755286 0.69985716 0.58870387 T T T # 264 H75 0.58973510 0.73328657 0.66872619 T T T # 265 H76 0.74261050 0.76461820 0.46026818 T T T # 266 C1 0.46634780 0.75453567 0.44117608 T T T # 267 C2 0.60860658 0.73150933 0.60312148 T T T # 268 C3 0.87380075 0.76372967 0.69909552 T T T # 269 C4 0.93744839 0.80649785 0.71400012 T T T # 270 C5 0.30007572 0.79192157 0.62499494 T T T # 271 C6 0.29665118 0.81512876 0.70574190 T T T # 272 C7 0.37042229 0.78921761 0.42575701 T T T # 273 C8 0.33733158 0.79500617 0.33622275 T T T # 274 C9 0.58979821 0.75080241 0.23465568 T T T # 275 C10 0.68249299 0.74942438 0.16940578 T T T # 276 C11 0.14511634 0.72482532 0.52371072 T T T # 277 C12 0.10053832 0.74190655 0.44287381 T T T # 278 C13 0.68228573 0.85243810 0.34423618 T T T # 279 C14 0.64685438 0.90024248 0.34062701 T T T # 280 C15 0.61336759 0.85186338 0.59007144 T T T # 281 C16 0.66228591 0.89627647 0.61271605 T T T # 282 C17