No title 1.0 12.47140000 0.00000000 0.00000000 -3.04885115 19.22970392 0.00000000 0.00000000 0.00000000 32.72700000 Si Ge O Al C H 28 36 37 24 26 78 Selective dynamics Direct 0.35360986 0.01456922 0.33538995 F F F # 1 Si1 0.04110986 0.95206922 0.33538995 F F F # 2 Si2 0.91610986 0.82706922 0.25184303 F F F # 3 Si3 0.19735986 0.98331922 0.29361649 F F F # 4 Si4 0.66610986 0.57706922 0.25184303 F F F # 5 Si5 0.97860986 0.63956922 0.25184303 F F F # 6 Si6 0.94735986 0.73331922 0.29361649 F F F # 7 Si7 0.82235986 0.60831922 0.21006957 F F F # 8 Si8 0.72860986 0.38956922 0.25184303 F F F # 9 Si9 0.69735986 0.48331922 0.29361649 F F F # 10 Si10 0.29110986 0.20206922 0.33538995 F F F # 11 Si11 0.16610986 0.07706922 0.25184303 F F F # 12 Si12 0.47860986 0.13956922 0.25184303 F F F # 13 Si13 0.32235986 0.10831922 0.21006957 F F F # 14 Si14 0.85360986 0.01456922 0.25184303 F F F # 15 Si15 0.38485986 0.92081922 0.21006957 F F F # 16 Si16 0.60360986 0.76456922 0.25184303 F F F # 17 Si17 0.00985986 0.54581922 0.29361649 F F F # 18 Si18 0.32235986 0.60831922 0.29361649 F F F # 19 Si19 0.10360986 0.26456922 0.25184303 F F F # 20 Si20 0.07235986 0.35831922 0.29361649 F F F # 21 Si21 0.94735986 0.23331922 0.21006957 F F F # 22 Si22 0.00985986 0.04581922 0.21006957 F F F # 23 Si23 0.88485986 0.92081922 0.29361649 F F F # 24 Si24 0.63485986 0.67081922 0.29361649 F F F # 25 Si25 0.38485986 0.42081922 0.29361649 F F F # 26 Si26 0.25985986 0.29581922 0.21006957 F F F # 27 Si27 0.13485986 0.17081922 0.29361649 F F F # 28 Si28 0.22860986 0.88956922 0.25184303 F F F # 29 Ge1 0.10360986 0.76456922 0.33538995 F F F # 30 Ge2 0.07235986 0.85831922 0.21006957 F F F # 31 Ge3 0.79110986 0.70206922 0.33538995 F F F # 32 Ge4 0.85360986 0.51456922 0.33538995 F F F # 33 Ge5 0.54110986 0.45206922 0.33538995 F F F # 34 Ge6 0.41610986 0.32706922 0.25184303 F F F # 35 Ge7 0.60360986 0.26456922 0.33538995 F F F # 36 Ge8 0.57235986 0.35831922 0.21006957 F F F # 37 Ge9 0.44735986 0.23331922 0.29361649 F F F # 38 Ge10 0.54110986 0.95206922 0.25184303 F F F # 39 Ge11 0.50985986 0.04581922 0.29361649 F F F # 40 Ge12 0.72860986 0.88956922 0.33538995 F F F # 41 Ge13 0.69735986 0.98331922 0.21006957 F F F # 42 Ge14 0.41610986 0.82706922 0.33538995 F F F # 43 Ge15 0.29110986 0.70206922 0.25184303 F F F # 44 Ge16 0.25985986 0.79581922 0.29361649 F F F # 45 Ge17 0.57235986 0.85831922 0.29361649 F F F # 46 Ge18 0.47860986 0.63956922 0.33538995 F F F # 47 Ge19 0.44735986 0.73331922 0.21006957 F F F # 48 Ge20 0.16610986 0.57706922 0.33538995 F F F # 49 Ge21 0.13485986 0.67081922 0.21006957 F F F # 50 Ge22 0.04110986 0.45206922 0.25184303 F F F # 51 Ge23 0.35360986 0.51456922 0.25184303 F F F # 52 Ge24 0.22860986 0.38956922 0.33538995 F F F # 53 Ge25 0.19735986 0.48331922 0.21006957 F F F # 54 Ge26 0.91610986 0.32706922 0.33538995 F F F # 55 Ge27 0.88485986 0.42081922 0.21006957 F F F # 56 Ge28 0.79110986 0.20206922 0.25184303 F F F # 57 Ge29 0.75985986 0.29581922 0.29361649 F F F # 58 Ge30 0.97860986 0.13956922 0.33538995 F F F # 59 Ge31 0.66610986 0.07706922 0.33538995 F F F # 60 Ge32 0.63485986 0.17081922 0.21006957 F F F # 61 Ge33 0.82235986 0.10831922 0.29361649 F F F # 62 Ge34 0.75985986 0.79581922 0.21006957 F F F # 63 Ge35 0.50985986 0.54581922 0.21006957 F F F # 64 Ge36 0.84523850 0.88076769 0.42318558 T T T # 65 O1 0.89169466 0.01958998 0.44206529 T T T # 66 O2 0.75454965 0.13973858 0.38142633 T T T # 67 O3 0.93095404 0.23576698 0.34983602 T T T # 68 O4 0.97529222 0.13925115 0.39515343 T T T # 69 O5 0.74409768 0.39328966 0.37976641 T T T # 70 O6 0.91418064 0.49967916 0.38643131 T T T # 71 O7 0.94493414 0.36090067 0.39198800 T T T # 72 O8 0.77625029 0.59970126 0.35488627 T T T # 73 O9 0.88283825 0.75834584 0.40969834 T T T # 74 O10 0.99326639 0.64179727 0.40177189 T T T # 75 O11 0.00447364 0.88882165 0.36539715 T T T # 76 O12 0.44359384 0.72618837 0.35928263 T T T # 77 O13 0.67123436 0.80058267 0.38453497 T T T # 78 O14 0.58617381 0.65430566 0.38724043 T T T # 79 O15 0.41424564 0.96228055 0.36973146 T T T # 80 O16 0.57108722 0.06674045 0.38457406 T T T # 81 O17 0.67181619 0.97274211 0.35393009 T T T # 82 O18 0.39468576 0.19302254 0.36414975 T T T # 83 O19 0.54024757 0.32510349 0.37222543 T T T # 84 O20 0.59497709 0.21400127 0.38477272 T T T # 85 O21 0.40518223 0.47245002 0.42471661 T T T # 86 O22 0.53163207 0.54758956 0.34716147 T T T # 87 O23 0.63424361 0.50448794 0.41390250 T T T # 88 O24 0.11549687 0.28737601 0.41323649 T T T # 89 O25 0.23934738 0.42666730 0.38846851 T T T # 90 O26 0.15309445 0.54332435 0.38866851 T T T # 91 O27 0.19297593 0.67612555 0.35057170 T T T # 92 O28 0.35343367 0.61354013 0.40592314 T T T # 93 O29 0.10160451 0.79176634 0.39035625 T T T # 94 O30 0.21581080 0.92296427 0.40414605 T T T # 95 O31 0.32233891 0.79789301 0.38707472 T T T # 96 O32 0.05886160 0.03314145 0.35609582 T T T # 97 O33 0.20072998 0.17478191 0.37838546 T T T # 98 O34 0.29415097 0.05247989 0.37582947 T T T # 99 O35 0.33864095 0.29978325 0.40669362 T T T # 100 O36 0.57153705 0.59534822 0.62786877 T T T # 101 O37 0.87331100 0.19520927 0.39481167 T T T # 102 Al1 0.85502202 0.41928383 0.41055480 T T T # 103 Al2 0.91886672 0.68250827 0.43800584 T T T # 104 Al3 0.85748788 0.94040468 0.46305907 T T T # 105 Al4 0.55615694 0.73864418 0.39776293 T T T # 106 Al5 0.76748852 0.79778077 0.42555682 T T T # 107 Al6 0.55866846 0.97465941 0.38851900 T T T # 108 Al7 0.63501019 0.14182259 0.41143200 T T T # 109 Al8 0.46354789 0.25259920 0.40205903 T T T # 110 Al9 0.61659172 0.40560790 0.39577793 T T T # 111 Al10 0.53179654 0.48198833 0.45266180 T T T # 112 Al11 0.64540076 0.57784504 0.38084505 T T T # 113 Al12 0.31921037 0.38386822 0.42647142 T T T # 114 Al13 0.28753101 0.52027859 0.40991776 T T T # 115 Al14 0.31587381 0.62920632 0.46024622 T T T # 116 Al15 0.30278438 0.70040197 0.38772332 T T T # 117 Al16 0.22504544 0.83775967 0.41672825 T T T # 118 Al17 0.32527247 0.98469398 0.41352487 T T T # 119 Al18 0.16350222 0.08207143 0.38521608 T T T # 120 Al19 0.21690144 0.23848211 0.42148575 T T T # 121 Al20 0.98286163 0.09307330 0.44307099 T T T # 122 Al21 0.00974040 0.32072424 0.43297259 T T T # 123 Al22 0.02184466 0.56044050 0.41202438 T T T # 124 Al23 0.98304789 0.83936463 0.41065485 T T T # 125 Al24 0.53641171 0.50357657 0.51151996 T T T # 126 C1 0.65779219 0.61614417 0.69527339 T T T # 127 C2 0.55833065 0.61924901 0.66882300 T T T # 128 C3 0.83882571 0.24664012 0.44346807 T T T # 129 C4 0.82024566 0.41940301 0.46931129 T T T # 130 C9 0.99248998 0.71499020 0.49098304 T T T # 131 C15 0.81048838 0.93420030 0.52017088 T T T # 132 C22 0.49178282 0.74599051 0.45117047 T T T # 133 C30 0.72109028 0.77338185 0.48217751 T T T # 134 C39 0.57322983 0.92769170 0.44019439 T T T # 135 C49 0.64971302 0.11892673 0.46971709 T T T # 136 C60 0.47650300 0.22190133 0.45943867 T T T # 137 C72 0.56821984 0.37857812 0.45597858 T T T # 138 C85 0.78015675 0.62352450 0.45547240 T T T # 139 C99 0.29978766 0.36976011 0.48661136 T T T # 140 C114 0.25107716 0.52519735 0.47260082 T T T # 141 C130 0.34664270 0.65419863 0.51836837 T T T # 142 C147 0.20872776 0.69095979 0.44292837 T T T # 143 C165 0.27411271 0.84188537 0.47565482 T T T # 144 C184 0.37854193 0.01763462 0.46744048 T T T # 145 C204 0.13803630 0.05457907 0.44395448 T T T # 146 C225 0.22482834 0.19835296 0.47647738 T T T # 147 C247 0.96368733 0.14292933 0.49473881 T T T # 148 C270 0.02631765 0.34901065 0.49094076 T T T # 149 C294 0.01033721 0.54057519 0.47132604 T T T # 150 C319 0.02912724 0.87680984 0.46636694 T T T # 151 C345 0.61986698 0.50456652 0.52273371 T T T # 152 H1 0.50781097 0.55072328 0.52295252 T T T # 153 H2 0.48597543 0.45917934 0.52628028 T T T # 154 H3 0.67950185 0.56359243 0.69459338 T T T # 155 H4 0.64283386 0.62945986 0.72728378 T T T # 156 H5 0.72772455 0.65306954 0.68438581 T T T # 157 H6 0.53786971 0.67266669 0.66830868 T T T # 158 H7 0.48737764 0.58476652 0.68093544 T T T # 159 H8 0.63529079 0.62385770 0.61628070 T T T # 160 H9 0.87624668 0.28079036 0.46799883 T T T # 161 H10 0.76987687 0.27081153 0.43247724 T T T # 162 H11 0.80594696 0.20050638 0.46160495 T T T # 163 H12 0.88809173 0.43279530 0.49020112 T T T # 164 H25 0.76761685 0.45914077 0.47388752 T T T # 165 H26 0.77490339 0.36952703 0.47955877 T T T # 166 H27 0.06665038 0.75357467 0.49135420 T T T # 167 H43 0.93303171 0.73653803 0.51013873 T T T # 168 H44 0.01102619 0.66956931 0.50816704 T T T # 169 H45 0.86017016 0.97683104 0.53701122 T T T # 170 H64 0.72540517 0.94224483 0.52334103 T T T # 171 H65 0.81851968 0.88518779 0.53556553 T T T # 172 H66 0.40442446 0.74795917 0.45046448 T T T # 173 H88 0.50630034 0.70225396 0.47044887 T T T # 174 H89 0.52517670 0.79268045 0.46827430 T T T # 175 H90 0.79721218 0.77516319 0.49951594 T T T # 176 H115 0.67729498 0.81257086 0.49573009 T T T # 177 H116 0.67340074 0.72216089 0.48788018 T T T # 178 H117 0.60749913 0.96682329 0.46289574 T T T # 179 H145 0.49881404 0.89842490 0.45318343 T T T # 180 H146 0.63107827 0.89116979 0.43608927 T T T # 181 H147 0.66759716 0.16198470 0.49156881 T T T # 182 H178 0.57616533 0.08607457 0.48109590 T T T # 183 H179 0.71591178 0.08739979 0.47155000 T T T # 184 H180 0.42683345 0.24541432 0.48145691 T T T # 185 H214 0.45052988 0.16548664 0.46219226 T T T # 186 H215 0.56012360 0.23199580 0.47091825 T T T # 187 H216 0.60782027 0.39750039 0.48477164 T T T # 188 H253 0.49071394 0.34737616 0.46429131 T T T # 189 H254 0.61953243 0.33982732 0.44660950 T T T # 190 H255 0.77073112 0.62556727 0.48889677 T T T # 191 H295 0.70446990 0.63875419 0.44338866 T T T # 192 H296 0.78038448 0.56878170 0.44769039 T T T # 193 H297 0.32478405 0.41724632 0.50430661 T T T # 194 H340 0.21790165 0.34839174 0.49666593 T T T # 195 H341 0.35195483 0.33240365 0.49655117 T T T # 196 H342 0.19270669 0.54787446 0.49139000 T T T # 197 H388 0.20197777 0.47440839 0.46484585 T T T # 198 H389 0.31510766 0.51305560 0.49305094 T T T # 199 H390 0.26642219 0.64566390 0.53324474 T T T # 200 H439 0.39758295 0.62292261 0.53527429 T T T # 201 H440 0.38041567 0.70920591 0.52249130 T T T # 202 H441 0.14610393 0.69862978 0.42001109 T T T # 203 H493 0.15650516 0.64729525 0.45863979 T T T # 204 H494 0.21575871 0.73365022 0.46481211 T T T # 205 H495 0.35436719 0.82614516 0.47971347 T T T # 206 H550 0.28243340 0.89622569 0.48598825 T T T # 207 H551 0.22068911 0.81205798 0.49836641 T T T # 208 H552 0.40731641 0.07384332 0.46841360 T T T # 209 H610 0.31032101 0.00702208 0.48906020 T T T # 210 H611 0.44336624 0.99167038 0.47975509 T T T # 211 H612 0.10558054 0.05729680 0.47517808 T T T # 212 H673 0.13407790 0.99840637 0.43802771 T T T # 213 H674 0.22261189 0.07762745 0.45090165 T T T # 214 H675 0.24891003 0.24151260 0.49781626 T T T # 215 H739 0.14581394 0.17246967 0.48724934 T T T # 216 H740 0.28338649 0.16255484 0.48081057 T T T # 217 H741 0.99043619 0.19904432 0.49787800 T T T # 218 H808 0.87689191 0.13175016 0.50272582 T T T # 219 H809 0.00575615 0.11806598 0.51906025 T T T # 220 H810 0.07802338 0.39912029 0.49662481 T T T # 221 H880 0.95083485 0.34939883 0.50810584 T T T # 222 H881 0.06770831 0.30893275 0.50512404 T T T # 223 H882 0.05830167 0.58233151 0.48918571 T T T # 224 H955 0.92589460 0.54325488 0.47987350 T T T # 225 H956 0.02963310 0.49126985 0.48287491 T T T # 226 H957 0.02655029 0.93372862 0.46633659 T T T # 227 H1033 0.96965380 0.85162638 0.48881502 T T T # 228 H1034 0.10843486 0.87449805 0.48010702 T T T # 229 H1035