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 0.3554547600000006 0.4742011399999981 0.4749707000000001 T T T 0.4188588900000028 0.5209353199999995 0.5243000899999970 T T T 0.3398708100000007 0.3695064799999983 0.5055932100000007 T T T 0.5341575100000000 0.4928099400000008 0.4943899900000019 T T T 0.2791621499999977 0.5428885299999990 0.5017520800000028 T T T 0.3687686700000015 0.3234925000000004 0.5783315500000015 T T T 0.3686091499999975 0.4671009099999992 0.3503624900000020 T T T 0.5508324799999968 0.4371019399999980 0.5220400099999978 T T T 0.5425219899999973 0.4889543700000019 0.4241994899999995 T T T 0.7011295499999974 0.5300624999999997 0.4580375600000011 F F F 0.2346092399999975 0.5128886999999978 0.4721131399999976 T T T 0.2726243800000034 0.5468614099999982 0.5741962500000000 T T T 0.2864067399999968 0.6105250000000026 0.4753627099999989 T T T 0.3763173700000024 0.2536424099999977 0.5588476900000003 T T T 0.4168619499999977 0.3531911199999982 0.5985170499999981 T T T 0.3346735800000005 0.3245523499999976 0.6359030400000023 T T T 0.3747687199999987 0.5342376199999990 0.3223414599999970 T T T 0.4133225499999966 0.4275364599999989 0.3358101700000020 T T T 0.3252331400000017 0.4346904000000009 0.3194693100000023 T T T 0.5218365300000016 0.5475386099999966 0.5066011700000033 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