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 0.3537768600000035 0.4820421599999989 0.4756540899999990 T T T 0.4144542200000032 0.5303071900000020 0.5246493499999971 T T T 0.3330259999999967 0.3778315300000017 0.5047759999999997 T T T 0.5918843600000017 0.4826356200000035 0.5007333000000003 T T T 0.2735855000000029 0.5497197799999967 0.4963438099999991 T T T 0.3654512199999971 0.3291488899999990 0.5738184900000007 T T T 0.3678212700000003 0.4740139499999998 0.3498337600000028 T T T 0.5814894900000027 0.4150344000000032 0.5236341399999986 T T T 0.5945060900000030 0.4866132100000016 0.4282997999999978 T T T 0.6412855700000009 0.5006482000000005 0.5231896299999974 F F F 0.2319423599999979 0.5152258800000027 0.4633047800000014 T T T 0.2651453599999982 0.5535529499999967 0.5685227900000029 T T T 0.2812765799999966 0.6166555599999981 0.4686701899999974 T T T 0.3726202400000034 0.2599704900000006 0.5512202700000017 T T T 0.4139097799999973 0.3590419399999973 0.5919105799999969 T T T 0.3332352999999983 0.3277910099999986 0.6336143099999987 T T T 0.3723881000000020 0.5419214599999975 0.3232787700000017 T T T 0.4142317399999982 0.4367764100000002 0.3380498200000019 T T T 0.3251407799999981 0.4388879899999978 0.3199905099999967 T T T 0.5572639499999994 0.5303678900000008 0.5294140299999981 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