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 0.3564513099999971 0.4714307099999999 0.4748590399999983 T T T 0.4203901500000029 0.5180276899999967 0.5242619699999977 T T T 0.3420712899999998 0.3665868900000007 0.5057861800000012 T T T 0.5233680199999995 0.4986307200000013 0.4941051799999983 T T T 0.2810783500000014 0.5405195199999966 0.5037184400000001 T T T 0.3699032199999976 0.3215252000000035 0.5798723899999985 T T T 0.3689050199999997 0.4646601199999978 0.3504526299999995 T T T 0.5443473600000033 0.4459316299999969 0.5246367399999983 T T T 0.5310395799999981 0.4913313200000005 0.4237178899999989 T T T 0.7160905499999970 0.5374160799999999 0.4417495400000035 F F F 0.2357201700000005 0.5116170399999973 0.4750408800000017 T T T 0.2753347000000019 0.5444208700000033 0.5763263799999976 T T T 0.2882792199999997 0.6083169099999992 0.4776324199999991 T T T 0.3776129499999996 0.2513893499999966 0.5615099799999967 T T T 0.4178616100000028 0.3512439200000017 0.6006803399999967 T T T 0.3351495900000003 0.3234692500000023 0.6367412800000025 T T T 0.3756120299999992 0.5316370800000030 0.3221763700000011 T T T 0.4130570700000007 0.4242292200000009 0.3349781599999986 T T T 0.3251186700000019 0.4331935800000011 0.3195209900000009 T T T 0.5186509099999981 0.5571539099999967 0.5053410200000030 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