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 0.3534522699999982 0.4797518399999987 0.4752136099999973 T T T 0.4158331300000029 0.5267393900000030 0.5243587699999992 T T T 0.3354789699999969 0.3753364599999998 0.5052099700000028 T T T 0.5556365200000002 0.4818538600000011 0.4952281300000010 T T T 0.2753311499999995 0.5476105700000033 0.4978178599999978 T T T 0.3665024000000017 0.3274225199999989 0.5752512099999976 T T T 0.3680275700000024 0.4719742600000032 0.3501730899999984 T T T 0.5637529999999984 0.4195451699999992 0.5167691400000010 T T T 0.5654472900000016 0.4842059599999970 0.4251916199999997 T T T 0.6712075599999991 0.5153553500000001 0.4906136000000032 F F F 0.2323911200000026 0.5154330700000003 0.4662676399999981 T T T 0.2672102599999988 0.5517364499999999 0.5699396199999995 T T T 0.2826671899999980 0.6149360799999997 0.4708280400000007 T T T 0.3737275000000011 0.2581457499999971 0.5535290600000025 T T T 0.4148640399999977 0.3570819199999988 0.5941945399999966 T T T 0.3337232700000001 0.3267166400000008 0.6342253600000021 T T T 0.3730840599999965 0.5394322399999965 0.3226733199999998 T T T 0.4138502799999983 0.4341460699999971 0.3374709799999991 T T T 0.3254618799999989 0.4376810400000011 0.3193717300000003 T T T 0.5283594300000019 0.5275809999999979 0.5089001199999998 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