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 0.3635281999999975 0.4709179000000034 0.4716957699999966 T T T 0.4318457700000025 0.5085620799999973 0.5194064299999965 T T T 0.3464853899999980 0.3675663499999970 0.5050044199999988 T T T 0.5003066599999997 0.5029397599999967 0.4957136700000007 T T T 0.2906977199999972 0.5412673900000016 0.5048068299999997 T T T 0.3705855400000004 0.3212216699999999 0.5809376500000027 T T T 0.3704799100000002 0.4646791699999966 0.3474071099999989 T T T 0.5261937300000028 0.4477202300000016 0.5326746100000008 T T T 0.5079404000000025 0.4888786499999966 0.4234061900000015 T T T 0.7310515499999966 0.5447696499999992 0.4254615299999998 F F F 0.2472385000000017 0.5082728499999973 0.4747922900000034 T T T 0.2829855299999977 0.5438523099999983 0.5768650999999991 T T T 0.2933237399999982 0.6093301699999998 0.4792660499999997 T T T 0.3782359799999995 0.2508839099999989 0.5631309899999977 T T T 0.4182392800000017 0.3495152200000007 0.6032919100000029 T T T 0.3348811299999994 0.3245088099999975 0.6367853300000021 T T T 0.3756345800000034 0.5309411200000014 0.3177864199999973 T T T 0.4130777600000002 0.4243649300000030 0.3259621300000006 T T T 0.3257714499999977 0.4342216800000003 0.3182072199999979 T T T 0.5249356200000008 0.5665580100000014 0.5123867599999983 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