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 0.3631288400000017 0.4762295800000018 0.4760251000000011 T T T 0.4315129000000013 0.5144591399999996 0.5163162200000002 T T T 0.3391416099999986 0.3735662200000007 0.5062653700000013 T T T 0.5906250199999974 0.4995138900000029 0.4969111099999992 T T T 0.2837512300000000 0.5444796700000012 0.5014483499999969 T T T 0.3685091299999996 0.3250225600000007 0.5777712300000033 T T T 0.3697334599999991 0.4684931299999988 0.3482006400000017 T T T 0.5709030900000016 0.4422033800000023 0.5294323999999975 T T T 0.5679781700000035 0.4927605600000007 0.4252822999999992 T T T 0.6455601400000006 0.5027492299999992 0.5185359199999979 F F F 0.2424439999999990 0.5083432300000013 0.4692789300000015 T T T 0.2750795700000026 0.5473006200000015 0.5736453000000026 T T T 0.2880950200000001 0.6120457399999992 0.4739374899999973 T T T 0.3752692400000015 0.2552974999999975 0.5566898499999979 T T T 0.4169148000000007 0.3537618599999988 0.5981469700000019 T T T 0.3339388400000018 0.3253798599999982 0.6352316099999982 T T T 0.3744889999999970 0.5364849999999990 0.3217012100000005 T T T 0.4142845800000003 0.4288649399999969 0.3321162900000019 T T T 0.3243195000000014 0.4357092600000030 0.3228903600000024 T T T 0.5670495299999985 0.5600732099999988 0.5236508699999973 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