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 0.3841296499999984 0.4860425700000022 0.4802923199999967 T T T 0.4431031700000005 0.5489224199999967 0.5276968000000011 T T T 0.3939070500000028 0.3794806300000033 0.5077941199999998 T T T 0.5907048400000008 0.3896139499999975 0.4733829500000013 T T T 0.2996210200000036 0.5268725199999977 0.5163485599999973 T T T 0.3906407099999996 0.3462595499999992 0.5965686400000010 T T T 0.3982393699999989 0.4903828799999985 0.3578774899999999 T T T 0.5377546899999999 0.3740437800000009 0.4789940400000035 T T T 0.6260543699999985 0.3386546199999998 0.4524569700000001 T T T 0.6082717700000018 0.4565062599999976 0.4885643499999972 T T T 0.2595679699999991 0.4872727600000033 0.4853517000000025 T T T 0.2928343100000035 0.5226797300000001 0.5891059799999994 T T T 0.2921730300000007 0.5969161499999984 0.4968873500000015 T T T 0.3964868699999968 0.2734025900000034 0.5941799699999990 T T T 0.4310835300000022 0.3740004599999978 0.6382872000000006 T T T 0.3421174799999989 0.3614385799999980 0.6283364900000024 T T T 0.3903216300000025 0.5582207100000005 0.3321666000000008 T T T 0.4498926600000033 0.4706256199999999 0.3420887799999974 T T T 0.3642195999999984 0.4449347799999970 0.3225282300000032 T T T 0.4323896699999992 0.5785489299999966 0.5833035899999999 F F F 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00