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 0.3514138099999968 0.4852865300000033 0.4754037900000014 T T T 0.4128786200000008 0.5325601300000002 0.5244379800000019 T T T 0.3310874299999966 0.3811791600000021 0.5048336500000019 T T T 0.5766831500000009 0.4710358299999982 0.4963721299999975 T T T 0.2715058799999994 0.5523362500000033 0.4938770600000026 T T T 0.3642276799999991 0.3313607099999984 0.5721644300000008 T T T 0.3674420500000011 0.4768565400000000 0.3499984600000019 T T T 0.5767128099999965 0.4020634800000025 0.5114351499999970 T T T 0.5883833600000017 0.4794296399999993 0.4261907599999972 T T T 0.6412855700000009 0.5006482000000005 0.5231896299999974 F F F 0.2301720000000032 0.5179859500000035 0.4604125299999993 T T T 0.2617818599999993 0.5566239099999990 0.5656724700000026 T T T 0.2789169099999995 0.6193587100000002 0.4662841199999974 T T T 0.3711319200000034 0.2626617499999995 0.5481997500000020 T T T 0.4128613800000025 0.3609800699999965 0.5898627600000026 T T T 0.3327724199999977 0.3288857100000016 0.6325413499999968 T T T 0.3713954500000014 0.5446372700000026 0.3230026499999994 T T T 0.4143771999999970 0.4407710300000005 0.3391338400000024 T T T 0.3256934599999965 0.4406803400000001 0.3192709100000002 T T T 0.5353664300000034 0.5073780700000015 0.5110281299999997 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