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 0.3608962899999995 0.4716272100000012 0.4738839400000003 T T T 0.4368089900000030 0.5075408900000014 0.5158444099999997 T T T 0.3424047600000009 0.3671921099999977 0.5054139300000031 T T T 0.5080993600000028 0.4993295100000026 0.4938397100000032 T T T 0.2832141399999983 0.5405866700000033 0.5040266600000010 T T T 0.3697506500000003 0.3214549099999999 0.5800929500000009 T T T 0.3687058900000011 0.4648676400000014 0.3500787400000007 T T T 0.5389179399999975 0.4470278399999970 0.5301270799999998 T T T 0.5252695799999998 0.4884698299999997 0.4194331200000008 T T T 0.7225024099999970 0.5405676099999965 0.4347689700000004 F F F 0.2369480199999998 0.5115145999999982 0.4749040499999992 T T T 0.2749373400000010 0.5449755799999991 0.5765950199999992 T T T 0.2876418800000025 0.6090516900000011 0.4776689400000009 T T T 0.3778019800000010 0.2512511799999970 0.5615500400000002 T T T 0.4177587100000011 0.3512140200000005 0.6007536999999985 T T T 0.3349580799999998 0.3236387299999990 0.6372302500000018 T T T 0.3754330900000014 0.5317310300000031 0.3217679799999971 T T T 0.4129234700000026 0.4245655599999978 0.3347097300000001 T T T 0.3250278800000004 0.4332756800000013 0.3187236500000026 T T T 0.5239368000000013 0.5666584599999993 0.5133538999999985 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