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 0.3544625099999976 0.4769816000000020 0.4751043099999990 T T T 0.4173327299999983 0.5238348199999976 0.5243238500000018 T T T 0.3376723699999999 0.3724204099999966 0.5053998100000001 T T T 0.5449513399999972 0.4872375099999999 0.4947599899999986 T T T 0.2772441099999980 0.5452503899999996 0.4997846999999993 T T T 0.3676361400000019 0.3254578199999969 0.5767907099999974 T T T 0.3683182700000032 0.4695378099999985 0.3502637599999971 T T T 0.5572949700000009 0.4283076099999974 0.5194175099999967 T T T 0.5539896900000016 0.4865824399999994 0.4246912999999992 T T T 0.6861685599999987 0.5227089300000003 0.4743255799999986 F F F 0.2334996800000013 0.5141604700000002 0.4691903800000006 T T T 0.2699180199999986 0.5492982399999988 0.5720680900000019 T T T 0.2845376499999972 0.6127299300000004 0.4730953899999975 T T T 0.3750225799999996 0.2558933899999971 0.5561885700000033 T T T 0.4158631399999990 0.3551367199999973 0.5963559099999998 T T T 0.3341981299999972 0.3256343600000022 0.6350645699999973 T T T 0.3739264399999982 0.5368347699999987 0.3225081200000020 T T T 0.4135866000000021 0.4308407199999991 0.3366411499999984 T T T 0.3253471200000035 0.4361852299999995 0.3194209500000014 T T T 0.5250314099999969 0.5376657300000005 0.5077910099999983 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