No title 1.00000000000000 20.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.0000000000000000 Si O C H 1 2 4 13 Selective dynamics Direct 0.3851913299999978 0.4699655399999969 0.4738013400000014 T T T 0.4640592399999974 0.4847986999999989 0.4835163799999975 T T T 0.3510999800000008 0.3753011599999994 0.5100549599999979 T T T 0.6210764300000022 0.5269345700000017 0.5040791099999993 T T T 0.3061986900000022 0.5404288300000033 0.5066814300000004 T T T 0.3734207800000036 0.3221602500000031 0.5824459399999995 T T T 0.3751271699999990 0.4629887400000001 0.3437524400000029 T T T 0.5945964799999999 0.4816146100000012 0.5473974599999991 T T T 0.5915340999999970 0.5166292799999965 0.4398959600000012 T T T 0.6647957099999999 0.5122038200000034 0.4975941800000001 F F F 0.2659919900000034 0.5014616599999968 0.4755115899999964 T T T 0.2953135799999984 0.5409197899999967 0.5788700499999990 T T T 0.3047477200000017 0.6088784800000013 0.4802438899999970 T T T 0.3778296999999995 0.2524109300000035 0.5601259299999981 T T T 0.4220671799999991 0.3449556699999974 0.6088514799999984 T T T 0.3342852199999982 0.3228310100000016 0.6347455100000019 T T T 0.3781089800000004 0.5316912500000015 0.3187564199999997 T T T 0.4157211300000014 0.4209911399999982 0.3177129700000023 T T T 0.3247788700000029 0.4339023599999976 0.3343504300000006 T T T 0.6121720599999989 0.5924882199999999 0.5253341599999999 T T T 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00