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 0.3618167500000027 0.4680384700000033 0.4744036900000026 T T T 0.4326217200000002 0.5053719000000001 0.5167752799999974 T T T 0.3458004200000033 0.3634111000000004 0.5058373999999972 T T T 0.4985878099999965 0.5090096400000022 0.4944547699999973 T T T 0.2856867499999964 0.5371485699999994 0.5068402599999970 T T T 0.3714291300000028 0.3187474400000028 0.5822663599999984 T T T 0.3693200100000027 0.4614793800000001 0.3504202700000008 T T T 0.5297506799999994 0.4601403500000032 0.5313814699999995 T T T 0.5094172000000015 0.4928426700000017 0.4226024600000002 T T T 0.7417379700000026 0.5500222000000008 0.4138272300000025 F F F 0.2384941800000036 0.5095741499999988 0.4791666200000009 T T T 0.2789348299999972 0.5412932200000000 0.5796032100000019 T T T 0.2904534700000028 0.6056766499999995 0.4809724599999967 T T T 0.3795890700000015 0.2481549000000030 0.5653507899999966 T T T 0.4192050799999976 0.3483838000000006 0.6038761699999995 T T T 0.3356600500000013 0.3221239499999982 0.6382693600000025 T T T 0.3767058700000021 0.5280470399999970 0.3215733899999975 T T T 0.4126155699999998 0.4197993300000036 0.3335283400000009 T T T 0.3249216199999978 0.4311898600000035 0.3193839099999991 T T T 0.5184560499999975 0.5747943100000015 0.5070038799999992 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