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 0.3612634899999989 0.4669904599999981 0.4727828700000032 T T T 0.4279404700000029 0.5093342099999987 0.5221149699999970 T T T 0.3482436600000014 0.3625838700000017 0.5052024499999987 T T T 0.4964401200000026 0.5098527800000028 0.4944587299999981 T T T 0.2887384599999976 0.5366581500000009 0.5074149200000022 T T T 0.3719444800000034 0.3188507500000028 0.5826704699999965 T T T 0.3702191499999969 0.4611200499999981 0.3490848699999987 T T T 0.5248405800000029 0.4601017199999973 0.5330222300000003 T T T 0.5010105899999999 0.4925377799999993 0.4232388499999971 T T T 0.7460125400000024 0.5521232299999994 0.4091735100000022 F F F 0.2429174600000010 0.5072802099999976 0.4797632599999986 T T T 0.2834273499999966 0.5397528900000026 0.5802778300000000 T T T 0.2931945799999980 0.6052491100000026 0.4823851299999973 T T T 0.3799395699999977 0.2478141300000019 0.5670727899999974 T T T 0.4194027899999995 0.3479369599999984 0.6055623000000026 T T T 0.3353234100000009 0.3230545400000011 0.6377093600000023 T T T 0.3767722899999981 0.5275111199999998 0.3194265699999974 T T T 0.4127062100000032 0.4193069700000009 0.3288484999999994 T T T 0.3252276199999997 0.4314203699999979 0.3194722100000007 T T T 0.5174293399999996 0.5765773099999976 0.5060739899999973 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