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 0.3670190300000016 0.4745527600000017 0.4725854699999985 T T T 0.4465104800000006 0.5025498700000028 0.5096574299999972 T T T 0.3410691799999981 0.3734495699999982 0.5062465999999972 T T T 0.5248855099999972 0.4973070899999996 0.4928992600000015 T T T 0.2876295399999975 0.5443853599999997 0.5026085200000026 T T T 0.3684351300000017 0.3243789899999996 0.5784226500000003 T T T 0.3691349599999967 0.4679870800000003 0.3481350799999987 T T T 0.5474779700000028 0.4405638200000013 0.5281517700000009 T T T 0.5394140800000002 0.4905266299999980 0.4216869799999969 T T T 0.6861685599999987 0.5227089300000003 0.4743255799999986 F F F 0.2444394799999969 0.5098772300000007 0.4707409499999997 T T T 0.2751713099999975 0.5481215000000006 0.5740474999999989 T T T 0.2879882499999979 0.6125814000000034 0.4754461899999995 T T T 0.3759518600000007 0.2546055400000000 0.5578407599999977 T T T 0.4165992300000028 0.3532989400000019 0.5988895699999972 T T T 0.3339847900000024 0.3250620499999997 0.6359292499999967 T T T 0.3742596900000024 0.5353710099999986 0.3200405099999983 T T T 0.4136102000000008 0.4286067299999985 0.3308998099999982 T T T 0.3246469199999993 0.4356632000000005 0.3191469300000023 T T T 0.5453747899999968 0.5591293100000030 0.5192849000000024 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