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 0.3628537299999977 0.4740044500000025 0.4743974699999995 T T T 0.4317550299999979 0.5107315500000027 0.5161766299999968 T T T 0.3385302100000018 0.3714795400000028 0.5058897700000031 T T T 0.5570272900000006 0.4979446199999984 0.4891805600000012 T T T 0.2839629899999991 0.5442615700000033 0.5022345499999972 T T T 0.3681800100000032 0.3243758099999994 0.5780241599999982 T T T 0.3686694299999971 0.4675221800000031 0.3480884399999979 T T T 0.5561015999999981 0.4380083799999994 0.5295813899999970 T T T 0.5488830299999989 0.4902028899999991 0.4175281799999979 T T T 0.6712075599999991 0.5153553500000001 0.4906136000000032 F F F 0.2415562999999992 0.5096588800000035 0.4704765399999999 T T T 0.2748642199999978 0.5474269099999987 0.5744328700000025 T T T 0.2880427099999991 0.6121028900000027 0.4750971200000009 T T T 0.3759290300000018 0.2545090099999996 0.5579319300000023 T T T 0.4163279400000022 0.3539923700000003 0.5980832199999995 T T T 0.3340645899999970 0.3248680399999984 0.6359157799999977 T T T 0.3742495999999988 0.5353054200000003 0.3213285599999978 T T T 0.4135158099999998 0.4282700600000027 0.3325199100000020 T T T 0.3242964100000023 0.4350774600000022 0.3195811300000031 T T T 0.5454790000000003 0.5607079299999995 0.5193156899999991 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