No title 1.0 7.66310000 0.00000000 0.00000000 0.00000000 25.32620000 0.00000000 0.00000000 0.00000000 10.83726000 Si O C H Cl 40 8 2 12 4 Selective dynamics Direct 0.00578619 0.45785254 0.07745073 T T T # 1 Si1 0.99664162 0.53396529 0.45305578 T T T # 2 Si2 0.24102737 0.45851270 0.21242764 T T T # 3 Si3 0.24232447 0.53827723 0.32685528 T T T # 4 Si4 0.99142849 0.23067299 0.44497490 F F F # 5 Si5 0.24142849 0.23067299 0.32998950 F F F # 6 Si6 0.99142849 0.30359035 0.07559204 F F F # 7 Si7 0.24142849 0.30359035 0.19937236 F F F # 8 Si8 0.99142849 0.38009448 0.44920449 F F F # 9 Si9 0.24142849 0.38009448 0.32575991 F F F # 10 Si10 0.00009073 0.45641022 0.57133160 T T T # 11 Si11 0.99587492 0.53798631 0.95552207 T T T # 12 Si12 0.24545078 0.46014172 0.70392512 T T T # 13 Si13 0.23716947 0.53979840 0.82692798 T T T # 14 Si14 0.24142849 0.23067299 0.82998950 F F F # 15 Si15 0.99142849 0.30359035 0.57559204 F F F # 16 Si16 0.24142849 0.30359035 0.69937236 F F F # 17 Si17 0.99142849 0.38009448 0.94920449 F F F # 18 Si18 0.24142849 0.38009448 0.82575991 F F F # 19 Si19 0.47848205 0.45690117 0.07934035 T T T # 20 Si20 0.49772333 0.53775573 0.44470311 T T T # 21 Si21 0.74347433 0.45651732 0.20218306 T T T # 22 Si22 0.75026519 0.53283141 0.32410998 T T T # 23 Si23 0.49142849 0.23067299 0.44497490 F F F # 24 Si24 0.74142849 0.23067299 0.32998950 F F F # 25 Si25 0.49142849 0.30359035 0.07559204 F F F # 26 Si26 0.74142849 0.30359035 0.19937236 F F F # 27 Si27 0.49142849 0.38009448 0.44920449 F F F # 28 Si28 0.74142849 0.38009448 0.32575991 F F F # 29 Si29 0.48611528 0.45932358 0.56569050 T T T # 30 Si30 0.47901895 0.53768817 0.95888050 T T T # 31 Si31 0.73995394 0.45486485 0.68109216 T T T # 32 Si32 0.73774609 0.51808125 0.84655660 T T T # 33 Si33 0.49142849 0.23067299 0.94497490 F F F # 34 Si34 0.74142849 0.23067299 0.82998950 F F F # 35 Si35 0.74142849 0.30359035 0.69937236 F F F # 36 Si36 0.49142849 0.38009448 0.94920449 F F F # 37 Si37 0.74142849 0.38009448 0.82575991 F F F # 38 Si38 0.24329191 0.66165258 0.75707225 T T T # 39 Si39 0.52633167 0.65803096 0.52048845 T T T # 40 Si40 0.22307368 0.59702142 0.74474236 T T T # 41 O1 0.51128950 0.59557027 0.51982714 T T T # 42 O2 0.97671499 0.58537102 0.54867854 T T T # 43 O3 0.22007706 0.59284564 0.24391156 T T T # 44 O7 0.99899008 0.59429145 0.03213698 T T T # 45 O12 0.75168113 0.58582598 0.22345146 T T T # 46 O18 0.47517877 0.58831066 0.05889073 T T T # 47 O25 0.73174972 0.45665298 0.91740074 T T T # 48 O33 0.26481856 0.68866310 0.60144952 T T T # 49 C1 0.50266689 0.80696398 0.49683915 T T T # 50 C2 0.32794475 0.80052708 0.48713849 T T T # 51 H1 0.14247569 0.67944096 0.55421955 T T T # 52 H2 0.57760337 0.84252465 0.47930133 T T T # 53 H7 0.27489677 0.73178449 0.60471977 T T T # 54 H8 0.53572594 0.78224307 0.42433534 T T T # 55 H9 0.51293555 0.79760858 0.58941848 T T T # 56 H10 0.06214579 0.58771883 0.61626445 T T T # 57 H11 0.29564492 0.59690285 0.17063571 T T T # 58 H19 0.92924681 0.59593106 0.10824640 T T T # 59 H28 0.73334481 0.61983127 0.26525962 T T T # 60 H38 0.57877053 0.58937047 0.11413558 T T T # 61 H49 0.74968515 0.45745896 0.00890807 T T T # 62 H61 0.45246373 0.68154029 0.86349470 T T T # 63 Cl 0.58136006 0.67996067 0.34632408 T T T # 64 Cl4 0.03330681 0.69475793 0.84171838 T T T # 65 Cl2 0.72524126 0.68042282 0.61869339 T T T # 66 Cl3