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 0.3552064300000026 0.4789833500000000 0.4753320599999995 T T T 0.4168154500000014 0.5264738400000013 0.5241258499999972 T T T 0.3351158899999973 0.3746777400000028 0.5048821000000032 T T T 0.5687888699999988 0.4863495800000024 0.4905985899999976 T T T 0.2752263699999986 0.5477028199999978 0.4984235800000008 T T T 0.3666265800000019 0.3270347599999965 0.5754693000000017 T T T 0.3679660900000030 0.4714762600000029 0.3495856700000033 T T T 0.5639145499999998 0.4199469500000035 0.5219113400000026 T T T 0.5650641699999994 0.4824911199999988 0.4145661800000013 T T T 0.6647957099999999 0.5122038200000034 0.4975941800000001 F F F 0.2325737199999978 0.5146022799999983 0.4662917699999980 T T T 0.2677701100000007 0.5513424299999983 0.5708900999999997 T T T 0.2830990200000016 0.6148847500000016 0.4710446200000007 T T T 0.3740785099999968 0.2574933400000035 0.5540150499999967 T T T 0.4150594999999981 0.3568902499999993 0.5945058399999965 T T T 0.3337066100000001 0.3265726999999998 0.6346187799999967 T T T 0.3732168000000016 0.5392706200000035 0.3228056399999986 T T T 0.4139311200000009 0.4334927199999967 0.3374986700000022 T T T 0.3251151400000012 0.4371862400000026 0.3192510399999975 T T T 0.5305168399999971 0.5338426499999969 0.5176071200000010 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