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 0.35340659 0.01396875 0.33262451 F F F # 1 Si1 0.04090659 0.95146875 0.33262451 F F F # 2 Si2 0.91590659 0.82646875 0.24907759 F F F # 3 Si3 0.19715659 0.98271875 0.29085105 F F F # 4 Si4 0.66590659 0.57646875 0.24907759 F F F # 5 Si5 0.97840659 0.63896875 0.24907759 F F F # 6 Si6 0.94715659 0.73271875 0.29085105 F F F # 7 Si7 0.82215659 0.60771875 0.20730413 F F F # 8 Si8 0.72840659 0.38896875 0.24907759 F F F # 9 Si9 0.69715659 0.48271875 0.29085105 F F F # 10 Si10 0.29090659 0.20146875 0.33262451 F F F # 11 Si11 0.16590659 0.07646875 0.24907759 F F F # 12 Si12 0.47840659 0.13896875 0.24907759 F F F # 13 Si13 0.32215659 0.10771875 0.20730413 F F F # 14 Si14 0.85340659 0.01396875 0.24907759 F F F # 15 Si15 0.38465659 0.92021875 0.20730413 F F F # 16 Si16 0.60340659 0.76396875 0.24907759 F F F # 17 Si17 0.00965659 0.54521875 0.29085105 F F F # 18 Si18 0.32215659 0.60771875 0.29085105 F F F # 19 Si19 0.10340659 0.26396875 0.24907759 F F F # 20 Si20 0.07215659 0.35771875 0.29085105 F F F # 21 Si21 0.94715659 0.23271875 0.20730413 F F F # 22 Si22 0.00965659 0.04521875 0.20730413 F F F # 23 Si23 0.88465659 0.92021875 0.29085105 F F F # 24 Si24 0.63465659 0.67021875 0.29085105 F F F # 25 Si25 0.38465659 0.42021875 0.29085105 F F F # 26 Si26 0.25965659 0.29521875 0.20730413 F F F # 27 Si27 0.13465659 0.17021875 0.29085105 F F F # 28 Si28 0.22840659 0.88896875 0.24907759 F F F # 29 Ge1 0.10340659 0.76396875 0.33262451 F F F # 30 Ge2 0.07215659 0.85771875 0.20730413 F F F # 31 Ge3 0.79090659 0.70146875 0.33262451 F F F # 32 Ge4 0.85340659 0.51396875 0.33262451 F F F # 33 Ge5 0.54090659 0.45146875 0.33262451 F F F # 34 Ge6 0.41590659 0.32646875 0.24907759 F F F # 35 Ge7 0.60340659 0.26396875 0.33262451 F F F # 36 Ge8 0.57215659 0.35771875 0.20730413 F F F # 37 Ge9 0.44715659 0.23271875 0.29085105 F F F # 38 Ge10 0.54090659 0.95146875 0.24907759 F F F # 39 Ge11 0.50965659 0.04521875 0.29085105 F F F # 40 Ge12 0.72840659 0.88896875 0.33262451 F F F # 41 Ge13 0.69715659 0.98271875 0.20730413 F F F # 42 Ge14 0.41590659 0.82646875 0.33262451 F F F # 43 Ge15 0.29090659 0.70146875 0.24907759 F F F # 44 Ge16 0.25965659 0.79521875 0.29085105 F F F # 45 Ge17 0.57215659 0.85771875 0.29085105 F F F # 46 Ge18 0.47840659 0.63896875 0.33262451 F F F # 47 Ge19 0.44715659 0.73271875 0.20730413 F F F # 48 Ge20 0.16590659 0.57646875 0.33262451 F F F # 49 Ge21 0.13465659 0.67021875 0.20730413 F F F # 50 Ge22 0.04090659 0.45146875 0.24907759 F F F # 51 Ge23 0.35340659 0.51396875 0.24907759 F F F # 52 Ge24 0.22840659 0.38896875 0.33262451 F F F # 53 Ge25 0.19715659 0.48271875 0.20730413 F F F # 54 Ge26 0.91590659 0.32646875 0.33262451 F F F # 55 Ge27 0.88465659 0.42021875 0.20730413 F F F # 56 Ge28 0.79090659 0.20146875 0.24907759 F F F # 57 Ge29 0.75965659 0.29521875 0.29085105 F F F # 58 Ge30 0.97840659 0.13896875 0.33262451 F F F # 59 Ge31 0.66590659 0.07646875 0.33262451 F F F # 60 Ge32 0.63465659 0.17021875 0.20730413 F F F # 61 Ge33 0.82215659 0.10771875 0.29085105 F F F # 62 Ge34 0.75965659 0.79521875 0.20730413 F F F # 63 Ge35 0.50965659 0.54521875 0.20730413 F F F # 64 Ge36 0.84455873 0.87985382 0.42018616 T T T # 65 O1 0.89155616 0.01862217 0.43906676 T T T # 66 O2 0.75471343 0.13931390 0.37877088 T T T # 67 O3 0.93106764 0.23525224 0.34712811 T T T # 68 O4 0.97509335 0.13850107 0.39235501 T T T # 69 O5 0.74313927 0.39176828 0.37760561 T T T # 70 O6 0.91291422 0.49867426 0.38371961 T T T # 71 O7 0.94504551 0.36044427 0.38924008 T T T # 72 O8 0.77698369 0.59966425 0.35170270 T T T # 73 O9 0.88176732 0.75719317 0.40666061 T T T # 74 O10 0.99263142 0.64079675 0.39924031 T T T # 75 O11 0.00426864 0.88796811 0.36247541 T T T # 76 O12 0.44305029 0.72542716 0.35659788 T T T # 77 O13 0.67070890 0.79953308 0.38168569 T T T # 78 O14 0.58549444 0.65337532 0.38473275 T T T # 79 O15 0.41410995 0.96170340 0.36697918 T T T # 80 O16 0.57126835 0.06605463 0.38177468 T T T # 81 O17 0.67149931 0.97200124 0.35109586 T T T # 82 O18 0.39400098 0.19272793 0.36173657 T T T # 83 O19 0.53978084 0.32446690 0.36973717 T T T # 84 O20 0.59450951 0.21310726 0.38183436 T T T # 85 O21 0.40492369 0.47274044 0.42123040 T T T # 86 O22 0.53182456 0.54732746 0.34383735 T T T # 87 O23 0.63501244 0.50388786 0.41009402 T T T # 88 O24 0.11505337 0.28612116 0.41092957 T T T # 89 O25 0.23856247 0.42555808 0.38589014 T T T # 90 O26 0.15154871 0.54198671 0.38581834 T T T # 91 O27 0.19218221 0.67528284 0.34799597 T T T # 92 O28 0.35182104 0.61273906 0.40278622 T T T # 93 O29 0.10087208 0.79082090 0.38760919 T T T # 94 O30 0.21564889 0.92209663 0.40118379 T T T # 95 O31 0.32152598 0.79694889 0.38436519 T T T # 96 O32 0.05856527 0.03236818 0.35342055 T T T # 97 O33 0.20013408 0.17399119 0.37553926 T T T # 98 O34 0.29392821 0.05180841 0.37307240 T T T # 99 O35 0.33859478 0.29944005 0.40432877 T T T # 100 O36 0.56748990 0.59967767 0.69706019 T T T # 101 O37 0.87351812 0.19473663 0.39214877 T T T # 102 Al1 0.85437971 0.41821964 0.40805448 T T T # 103 Al2 0.91756089 0.68142725 0.43523997 T T T # 104 Al3 0.85721598 0.93946087 0.46013071 T T T # 105 Al4 0.55550391 0.73778906 0.39502616 T T T # 106 Al5 0.76677272 0.79688111 0.42278775 T T T # 107 Al6 0.55845651 0.97392467 0.38574572 T T T # 108 Al7 0.63503709 0.14121700 0.40863924 T T T # 109 Al8 0.46356809 0.25207699 0.39951758 T T T # 110 Al9 0.61576124 0.40515307 0.39300652 T T T # 111 Al10 0.53198379 0.48459592 0.44847076 T T T # 112 Al11 0.64613675 0.57774229 0.37733639 T T T # 113 Al12 0.32055158 0.38378430 0.42374312 T T T # 114 Al13 0.28583439 0.51945406 0.40684514 T T T # 115 Al14 0.31575595 0.62785045 0.45727582 T T T # 116 Al15 0.30198296 0.69958538 0.38505469 T T T # 117 Al16 0.22435509 0.83686086 0.41398311 T T T # 118 Al17 0.32492615 0.98390297 0.41074334 T T T # 119 Al18 0.16324151 0.08128213 0.38252042 T T T # 120 Al19 0.21712838 0.23774754 0.41879039 T T T # 121 Al20 0.98254065 0.09219886 0.44023112 T T T # 122 Al21 0.00978633 0.32030240 0.43029010 T T T # 123 Al22 0.02052374 0.55928755 0.40938853 T T T # 124 Al23 0.98220346 0.83828124 0.40765139 T T T # 125 Al24 0.54391883 0.52024897 0.50467765 T T T # 126 C1 0.65307458 0.62000406 0.76472236 T T T # 127 C2 0.55402768 0.62309812 0.73805450 T T T # 128 C3 0.83912564 0.24637135 0.44072186 T T T # 129 C4 0.81939506 0.41776830 0.46684669 T T T # 130 C9 0.99078942 0.71390265 0.48818633 T T T # 131 C15 0.80982782 0.93298205 0.51719147 T T T # 132 C22 0.49138296 0.74575138 0.44846766 T T T # 133 C30 0.72069520 0.77252569 0.47940628 T T T # 134 C39 0.57278114 0.92714914 0.43751217 T T T # 135 C49 0.64963350 0.11859333 0.46693635 T T T # 136 C60 0.47972799 0.22332889 0.45715684 T T T # 137 C72 0.56514386 0.38074790 0.45367248 T T T # 138 C85 0.77942189 0.62227108 0.45279486 T T T # 139 C99 0.30527318 0.37135819 0.48416304 T T T # 140 C114 0.25004152 0.52393925 0.46964617 T T T # 141 C130 0.35042821 0.65227114 0.51504423 T T T # 142 C147 0.20846207 0.68981567 0.44058112 T T T # 143 C165 0.27334193 0.84119943 0.47294935 T T T # 144 C184 0.37842947 0.01786925 0.46445216 T T T # 145 C204 0.13795935 0.05383588 0.44125484 T T T # 146 C225 0.22617796 0.19755911 0.47370722 T T T # 147 C247 0.96448911 0.14261777 0.49177367 T T T # 148 C270 0.02768760 0.34864220 0.48819119 T T T # 149 C294 0.00937829 0.53902350 0.46864975 T T T # 150 C319 0.02841302 0.87577988 0.46332308 T T T # 151 C345 0.62497443 0.51430134 0.51615634 T T T # 152 H1 0.53443868 0.57460574 0.50959834 T T T # 153 H2 0.48407207 0.48821904 0.52434377 T T T # 154 H3 0.67396307 0.56722067 0.76474656 T T T # 155 H4 0.63791190 0.63457525 0.79647980 T T T # 156 H5 0.72374608 0.65615611 0.75355867 T T T # 157 H6 0.53320540 0.67637996 0.73781801 T T T # 158 H7 0.48302265 0.58824544 0.74996702 T T T # 159 H8 0.63044158 0.62892234 0.68532039 T T T # 160 H9 0.87646465 0.28061132 0.46523617 T T T # 161 H10 0.77023046 0.27054089 0.42966148 T T T # 162 H11 0.80613999 0.20032690 0.45891488 T T T # 163 H12 0.88683196 0.43076439 0.48797518 T T T # 164 H25 0.76686003 0.45758786 0.47142982 T T T # 165 H26 0.77351515 0.36787235 0.47686923 T T T # 166 H27 0.06524627 0.75220064 0.48826083 T T T # 167 H43 0.93198677 0.73561746 0.50756842 T T T # 168 H44 0.00916333 0.66832721 0.50526612 T T T # 169 H45 0.85769193 0.97635945 0.53404218 T T T # 170 H64 0.72401010 0.93940295 0.52028338 T T T # 171 H65 0.81988917 0.88442670 0.53272322 T T T # 172 H66 0.40370712 0.74682858 0.44790778 T T T # 173 H88 0.50739104 0.70278862 0.46809779 T T T # 174 H89 0.52432229 0.79325841 0.46494343 T T T # 175 H90 0.79682597 0.77471242 0.49678183 T T T # 176 H115 0.67609557 0.81119556 0.49307543 T T T # 177 H116 0.67395471 0.72098693 0.48504171 T T T # 178 H117 0.60798574 0.96635951 0.46002542 T T T # 179 H145 0.49809285 0.89860347 0.45072585 T T T # 180 H146 0.62978883 0.89006225 0.43351169 T T T # 181 H147 0.66684646 0.16180259 0.48870931 T T T # 182 H178 0.57631127 0.08545602 0.47828110 T T T # 183 H179 0.71622231 0.08740123 0.46886808 T T T # 184 H180 0.42960399 0.24670908 0.47908161 T T T # 185 H214 0.45717803 0.16686715 0.46112267 T T T # 186 H215 0.56382668 0.23578672 0.46801712 T T T # 187 H216 0.59958177 0.40134579 0.48306312 T T T # 188 H253 0.48851288 0.34756596 0.46081023 T T T # 189 H254 0.62090177 0.34338856 0.44680356 T T T # 190 H255 0.77081127 0.62514684 0.48623574 T T T # 191 H295 0.70308156 0.63674579 0.44085173 T T T # 192 H296 0.77962027 0.56735132 0.44543120 T T T # 193 H297 0.34433451 0.41760431 0.50068505 T T T # 194 H340 0.22288956 0.35899998 0.49627354 T T T # 195 H341 0.34741577 0.32854284 0.49365862 T T T # 196 H342 0.19133351 0.54619785 0.48849348 T T T # 197 H388 0.20144027 0.47311343 0.46159457 T T T # 198 H389 0.31394123 0.51153435 0.49005536 T T T # 199 H390 0.27442853 0.63679285 0.53216195 T T T # 200 H439 0.41186876 0.62592555 0.52962598 T T T # 201 H440 0.37452083 0.70846682 0.51922220 T T T # 202 H441 0.14540821 0.69761121 0.41787800 T T T # 203 H493 0.15638945 0.64621853 0.45642848 T T T # 204 H494 0.21641644 0.73245756 0.46249883 T T T # 205 H495 0.35337544 0.82512455 0.47699622 T T T # 206 H550 0.28227984 0.89562448 0.48321736 T T T # 207 H551 0.21967708 0.81165832 0.49570585 T T T # 208 H552 0.40524939 0.07434078 0.46491580 T T T # 209 H610 0.31100390 0.00678577 0.48638569 T T T # 210 H611 0.44480377 0.99328938 0.47671887 T T T # 211 H612 0.10459396 0.05583361 0.47237969 T T T # 212 H673 0.13482561 0.99774475 0.43518387 T T T # 213 H674 0.22214544 0.07733056 0.44846591 T T T # 214 H675 0.24765561 0.24121360 0.49496720 T T T # 215 H739 0.14829351 0.17007304 0.48457670 T T T # 216 H740 0.28710489 0.16337957 0.47821334 T T T # 217 H741 0.99237637 0.19867756 0.49453266 T T T # 218 H808 0.87779989 0.13227378 0.49999331 T T T # 219 H809 0.00640151 0.11781364 0.51616366 T T T # 220 H810 0.07749400 0.39944883 0.49374649 T T T # 221 H880 0.95273604 0.34760878 0.50591492 T T T # 222 H881 0.07176406 0.30940117 0.50184840 T T T # 223 H882 0.05746927 0.58076821 0.48649133 T T T # 224 H955 0.92498400 0.54173112 0.47724047 T T T # 225 H956 0.02871456 0.48971566 0.48017004 T T T # 226 H957 0.02616597 0.93273770 0.46313659 T T T # 227 H1033 0.96892902 0.85081320 0.48583190 T T T # 228 H1034 0.10764441 0.87339545 0.47710813 T T T # 229 H1035