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 0.35381313 0.01516970 0.33815539 F F F # 1 Si1 0.04131313 0.95266970 0.33815539 F F F # 2 Si2 0.91631313 0.82766970 0.25460847 F F F # 3 Si3 0.19756313 0.98391970 0.29638193 F F F # 4 Si4 0.66631313 0.57766970 0.25460847 F F F # 5 Si5 0.97881313 0.64016970 0.25460847 F F F # 6 Si6 0.94756313 0.73391970 0.29638193 F F F # 7 Si7 0.82256313 0.60891970 0.21283501 F F F # 8 Si8 0.72881313 0.39016970 0.25460847 F F F # 9 Si9 0.69756313 0.48391970 0.29638193 F F F # 10 Si10 0.29131313 0.20266970 0.33815539 F F F # 11 Si11 0.16631313 0.07766970 0.25460847 F F F # 12 Si12 0.47881313 0.14016970 0.25460847 F F F # 13 Si13 0.32256313 0.10891970 0.21283501 F F F # 14 Si14 0.85381313 0.01516970 0.25460847 F F F # 15 Si15 0.38506313 0.92141970 0.21283501 F F F # 16 Si16 0.60381313 0.76516970 0.25460847 F F F # 17 Si17 0.01006313 0.54641970 0.29638193 F F F # 18 Si18 0.32256313 0.60891970 0.29638193 F F F # 19 Si19 0.10381313 0.26516970 0.25460847 F F F # 20 Si20 0.07256313 0.35891970 0.29638193 F F F # 21 Si21 0.94756313 0.23391970 0.21283501 F F F # 22 Si22 0.01006313 0.04641970 0.21283501 F F F # 23 Si23 0.88506313 0.92141970 0.29638193 F F F # 24 Si24 0.63506313 0.67141970 0.29638193 F F F # 25 Si25 0.38506313 0.42141970 0.29638193 F F F # 26 Si26 0.26006313 0.29641970 0.21283501 F F F # 27 Si27 0.13506313 0.17141970 0.29638193 F F F # 28 Si28 0.22881313 0.89016970 0.25460847 F F F # 29 Ge1 0.10381313 0.76516970 0.33815539 F F F # 30 Ge2 0.07256313 0.85891970 0.21283501 F F F # 31 Ge3 0.79131313 0.70266970 0.33815539 F F F # 32 Ge4 0.85381313 0.51516970 0.33815539 F F F # 33 Ge5 0.54131313 0.45266970 0.33815539 F F F # 34 Ge6 0.41631313 0.32766970 0.25460847 F F F # 35 Ge7 0.60381313 0.26516970 0.33815539 F F F # 36 Ge8 0.57256313 0.35891970 0.21283501 F F F # 37 Ge9 0.44756313 0.23391970 0.29638193 F F F # 38 Ge10 0.54131313 0.95266970 0.25460847 F F F # 39 Ge11 0.51006313 0.04641970 0.29638193 F F F # 40 Ge12 0.72881313 0.89016970 0.33815539 F F F # 41 Ge13 0.69756313 0.98391970 0.21283501 F F F # 42 Ge14 0.41631313 0.82766970 0.33815539 F F F # 43 Ge15 0.29131313 0.70266970 0.25460847 F F F # 44 Ge16 0.26006313 0.79641970 0.29638193 F F F # 45 Ge17 0.57256313 0.85891970 0.29638193 F F F # 46 Ge18 0.47881313 0.64016970 0.33815539 F F F # 47 Ge19 0.44756313 0.73391970 0.21283501 F F F # 48 Ge20 0.16631313 0.57766970 0.33815539 F F F # 49 Ge21 0.13506313 0.67141970 0.21283501 F F F # 50 Ge22 0.04131313 0.45266970 0.25460847 F F F # 51 Ge23 0.35381313 0.51516970 0.25460847 F F F # 52 Ge24 0.22881313 0.39016970 0.33815539 F F F # 53 Ge25 0.19756313 0.48391970 0.21283501 F F F # 54 Ge26 0.91631313 0.32766970 0.33815539 F F F # 55 Ge27 0.88506313 0.42141970 0.21283501 F F F # 56 Ge28 0.79131313 0.20266970 0.25460847 F F F # 57 Ge29 0.76006313 0.29641970 0.29638193 F F F # 58 Ge30 0.97881313 0.14016970 0.33815539 F F F # 59 Ge31 0.66631313 0.07766970 0.33815539 F F F # 60 Ge32 0.63506313 0.17141970 0.21283501 F F F # 61 Ge33 0.82256313 0.10891970 0.29638193 F F F # 62 Ge34 0.76006313 0.79641970 0.21283501 F F F # 63 Ge35 0.51006313 0.54641970 0.21283501 F F F # 64 Ge36 0.84595428 0.88157467 0.42607624 T T T # 65 O1 0.89132124 0.02040696 0.44421669 T T T # 66 O2 0.75409463 0.14011030 0.38415729 T T T # 67 O3 0.93069126 0.23625474 0.35253418 T T T # 68 O4 0.97548061 0.14016719 0.39799862 T T T # 69 O5 0.74629171 0.39585860 0.38127513 T T T # 70 O6 0.91635008 0.50066039 0.38895852 T T T # 71 O7 0.94417789 0.36101457 0.39477492 T T T # 72 O8 0.77481967 0.59898585 0.35811954 T T T # 73 O9 0.88398272 0.75946660 0.41259201 T T T # 74 O10 0.99381122 0.64291122 0.40442173 T T T # 75 O11 0.00476241 0.88967147 0.36829318 T T T # 76 O12 0.44435901 0.72649562 0.36228386 T T T # 77 O13 0.67169049 0.80162276 0.38740303 T T T # 78 O14 0.58856159 0.65523255 0.39034720 T T T # 79 O15 0.41441209 0.96279449 0.37251431 T T T # 80 O16 0.57062370 0.06744491 0.38735115 T T T # 81 O17 0.67181715 0.97351296 0.35663065 T T T # 82 O18 0.39528944 0.19345447 0.36668992 T T T # 83 O19 0.54034048 0.32563884 0.37412708 T T T # 84 O20 0.59565042 0.21526439 0.38788956 T T T # 85 O21 0.40413013 0.47054925 0.42769746 T T T # 86 O22 0.53083091 0.54783264 0.35079946 T T T # 87 O23 0.63231483 0.50336302 0.41771243 T T T # 88 O24 0.11611629 0.28875280 0.41600015 T T T # 89 O25 0.23798910 0.42813413 0.39130731 T T T # 90 O26 0.15405839 0.54458905 0.39152597 T T T # 91 O27 0.19405285 0.67675684 0.35320298 T T T # 92 O28 0.35416557 0.61421863 0.40925328 T T T # 93 O29 0.10226643 0.79264861 0.39307380 T T T # 94 O30 0.21610980 0.92360475 0.40663609 T T T # 95 O31 0.32337745 0.79874057 0.38963001 T T T # 96 O32 0.05934957 0.03394982 0.35871432 T T T # 97 O33 0.20116858 0.17550956 0.38120328 T T T # 98 O34 0.29470615 0.05321774 0.37866627 T T T # 99 O35 0.33832701 0.30038869 0.40941820 T T T # 100 O36 0.58194132 0.61013618 0.55791104 T T T # 101 O37 0.87286145 0.19562824 0.39745386 T T T # 102 Al1 0.85607217 0.42066209 0.41307089 T T T # 103 Al2 0.92046089 0.68385550 0.44079842 T T T # 104 Al3 0.85734669 0.94156877 0.46567505 T T T # 105 Al4 0.55715884 0.73898968 0.40073931 T T T # 106 Al5 0.76837064 0.79860353 0.42829437 T T T # 107 Al6 0.55876984 0.97539064 0.39129983 T T T # 108 Al7 0.63460827 0.14238642 0.41426859 T T T # 109 Al8 0.46321662 0.25338868 0.40464919 T T T # 110 Al9 0.61802409 0.40543575 0.39778082 T T T # 111 Al10 0.52935126 0.47507467 0.45572579 T T T # 112 Al11 0.64478336 0.57755719 0.38458900 T T T # 113 Al12 0.31528953 0.38356916 0.42919780 T T T # 114 Al13 0.28887314 0.52094015 0.41317491 T T T # 115 Al14 0.31512382 0.63097081 0.46335079 T T T # 116 Al15 0.30352552 0.70101546 0.39046487 T T T # 117 Al16 0.22591237 0.83852037 0.41931143 T T T # 118 Al17 0.32545823 0.98530122 0.41633470 T T T # 119 Al18 0.16394817 0.08270846 0.38793264 T T T # 120 Al19 0.21664483 0.23907582 0.42431194 T T T # 121 Al20 0.98272711 0.09376245 0.44582271 T T T # 122 Al21 0.00923354 0.32106374 0.43571954 T T T # 123 Al22 0.02309425 0.56167588 0.41477178 T T T # 124 Al23 0.98395531 0.84049370 0.41360353 T T T # 125 Al24 0.52241361 0.47589726 0.51576459 T T T # 126 C1 0.66525271 0.61441514 0.62577944 T T T # 127 C2 0.56595341 0.62303559 0.60051035 T T T # 128 C3 0.83886295 0.24688832 0.44623592 T T T # 129 C4 0.82168942 0.42107036 0.47186690 T T T # 130 C9 0.99405338 0.71620379 0.49381755 T T T # 131 C15 0.81117866 0.93565171 0.52289031 T T T # 132 C22 0.49187693 0.74625069 0.45414238 T T T # 133 C30 0.72151158 0.77428938 0.48491656 T T T # 134 C39 0.57374408 0.92823221 0.44289934 T T T # 135 C49 0.64982167 0.11933806 0.47250593 T T T # 136 C60 0.47260003 0.21986790 0.46160072 T T T # 137 C72 0.57349989 0.37337099 0.45691359 T T T # 138 C85 0.78158788 0.62504245 0.45841560 T T T # 139 C99 0.29319470 0.36831524 0.48894637 T T T # 140 C114 0.25156783 0.52665473 0.47577791 T T T # 141 C130 0.34035701 0.65687911 0.52160149 T T T # 142 C147 0.20848131 0.69229079 0.44505326 T T T # 143 C165 0.27479336 0.84274994 0.47828263 T T T # 144 C184 0.37836143 0.01717314 0.47050803 T T T # 145 C204 0.13798706 0.05527060 0.44663838 T T T # 146 C225 0.22329319 0.19866572 0.47924469 T T T # 147 C247 0.96264083 0.14274434 0.49776666 T T T # 148 C270 0.02487603 0.34946191 0.49364511 T T T # 149 C294 0.01110523 0.54209449 0.47412463 T T T # 150 C319 0.02978396 0.87779000 0.46936897 T T T # 151 C345 0.60433929 0.48398483 0.52930726 T T T # 152 H1 0.47567286 0.51211937 0.53032653 T T T # 153 H2 0.48442667 0.42260312 0.52360082 T T T # 154 H3 0.68388983 0.56132918 0.62262107 T T T # 155 H4 0.65224622 0.62463283 0.65835199 T T T # 156 H5 0.73592162 0.65142529 0.61561342 T T T # 157 H6 0.54358802 0.67563669 0.60436687 T T T # 158 H7 0.49533501 0.58496380 0.60982378 T T T # 159 H8 0.65482834 0.63147870 0.55038074 T T T # 160 H9 0.87619360 0.28094555 0.47081786 T T T # 161 H10 0.76977783 0.27103732 0.43535430 T T T # 162 H11 0.80609391 0.20064480 0.46429941 T T T # 163 H12 0.88988496 0.43506123 0.49253139 T T T # 164 H25 0.76848944 0.46049543 0.47648740 T T T # 165 H26 0.77746011 0.37100754 0.48235100 T T T # 166 H27 0.06802530 0.75495650 0.49453822 T T T # 167 H43 0.93407092 0.73758557 0.51280409 T T T # 168 H44 0.01254355 0.67076839 0.51099516 T T T # 169 H45 0.86267085 0.97738614 0.53981132 T T T # 170 H64 0.72688962 0.94522198 0.52629565 T T T # 171 H65 0.81730123 0.88616141 0.53808494 T T T # 172 H66 0.40475052 0.74920035 0.45318910 T T T # 173 H88 0.50466366 0.70175846 0.47319041 T T T # 174 H89 0.52558525 0.79219310 0.47189709 T T T # 175 H90 0.79738323 0.77536459 0.50233496 T T T # 176 H115 0.67858787 0.81397613 0.49840512 T T T # 177 H116 0.67229326 0.72350512 0.49044544 T T T # 178 H117 0.60698041 0.96727011 0.46580488 T T T # 179 H145 0.49964271 0.89821349 0.45566845 T T T # 180 H146 0.63245862 0.89228872 0.43871495 T T T # 181 H147 0.66840273 0.16228815 0.49440027 T T T # 182 H178 0.57609412 0.08673467 0.48393053 T T T # 183 H179 0.71566423 0.08752074 0.47415566 T T T # 184 H180 0.42362064 0.24369566 0.48374030 T T T # 185 H214 0.44291505 0.16372326 0.46309737 T T T # 186 H215 0.55564620 0.22724062 0.47364732 T T T # 187 H216 0.61784402 0.39274124 0.48459870 T T T # 188 H253 0.49540917 0.34496197 0.46726468 T T T # 189 H254 0.62025376 0.33335022 0.44577584 T T T # 190 H255 0.77347302 0.62666379 0.49193399 T T T # 191 H295 0.70626715 0.64108948 0.44664035 T T T # 192 H296 0.78114373 0.57030510 0.45040126 T T T # 193 H297 0.30682497 0.41547186 0.50761435 T T T # 194 H340 0.21380257 0.33996505 0.49725638 T T T # 195 H341 0.35267491 0.33589703 0.49928646 T T T # 196 H342 0.19357736 0.54930279 0.49481687 T T T # 197 H388 0.20186589 0.47604306 0.46811645 T T T # 198 H389 0.31589327 0.51432865 0.49603525 T T T # 199 H390 0.25812184 0.65558558 0.53429343 T T T # 200 H439 0.38085666 0.62102125 0.53955567 T T T # 201 H440 0.38404923 0.70969919 0.52633989 T T T # 202 H441 0.14611216 0.69978554 0.42204719 T T T # 203 H493 0.15651297 0.64840392 0.46067740 T T T # 204 H494 0.21475805 0.73484706 0.46699370 T T T # 205 H495 0.35524872 0.82734235 0.48240422 T T T # 206 H550 0.28240174 0.89696052 0.48875717 T T T # 207 H551 0.22157136 0.81253314 0.50090225 T T T # 208 H552 0.40929140 0.07306406 0.47192329 T T T # 209 H610 0.30952975 0.00725822 0.49189997 T T T # 210 H611 0.44156396 0.98981319 0.48286022 T T T # 211 H612 0.10639724 0.05886291 0.47793217 T T T # 212 H673 0.13311489 0.99900100 0.44093150 T T T # 213 H674 0.22293840 0.07777763 0.45338623 T T T # 214 H675 0.25017540 0.24120392 0.50068715 T T T # 215 H739 0.14318505 0.17464807 0.48997549 T T T # 216 H740 0.27921132 0.16118789 0.48341830 T T T # 217 H741 0.98833043 0.19892867 0.50112636 T T T # 218 H808 0.87582100 0.13093706 0.50565006 T T T # 219 H809 0.00507353 0.11803946 0.52204562 T T T # 220 H810 0.07840201 0.39881325 0.49950113 T T T # 221 H880 0.94912306 0.35117389 0.51034593 T T T # 222 H881 0.06384289 0.30865484 0.50825243 T T T # 223 H882 0.05902637 0.58393276 0.49191637 T T T # 224 H955 0.92662529 0.54472256 0.48264028 T T T # 225 H956 0.03051378 0.49286920 0.48575696 T T T # 226 H957 0.02679919 0.93466109 0.46952403 T T T # 227 H1033 0.97033541 0.85243355 0.49176093 T T T # 228 H1034 0.10917138 0.87554480 0.48305795 T T T # 229 H1035