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 0.3583433900000017 0.4742112400000025 0.4736651899999984 T T T 0.4282769699999989 0.5150446199999976 0.5203907900000004 T T T 0.3396685199999965 0.3696594800000028 0.5051972899999981 T T T 0.5274408499999979 0.4898356300000017 0.4898845499999993 T T T 0.2805215899999993 0.5431370599999994 0.5019391700000000 T T T 0.3685144399999984 0.3235157100000023 0.5783548499999966 T T T 0.3682435799999979 0.4672875500000018 0.3500657000000018 T T T 0.5485114700000011 0.4363710399999974 0.5286292199999991 T T T 0.5406955699999969 0.4858986400000020 0.4154854100000023 T T T 0.7032668399999977 0.5311130099999986 0.4557106999999974 F F F 0.2354118399999976 0.5127453500000030 0.4717315400000004 T T T 0.2722080200000008 0.5474496499999972 0.5745110399999973 T T T 0.2858064300000009 0.6113796500000035 0.4752337400000002 T T T 0.3765101999999985 0.2535214500000009 0.5588118399999971 T T T 0.4167222499999994 0.3532820300000026 0.5984704800000031 T T T 0.3344992999999974 0.3246974199999997 0.6364146199999965 T T T 0.3745577400000002 0.5344138099999967 0.3219978500000025 T T T 0.4131628900000024 0.4279307299999999 0.3357455499999986 T T T 0.3251148900000018 0.4347448500000013 0.3184490299999965 T T T 0.5237714699999998 0.5586629200000033 0.5181297600000008 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