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 0.3666383699999969 0.4752379700000020 0.4699548800000031 T T T 0.4427154799999968 0.4988535100000036 0.5086497500000036 T T T 0.3434269199999989 0.3755049499999998 0.5067530000000033 T T T 0.5133238100000028 0.4949562199999988 0.4940251599999996 T T T 0.2921549400000032 0.5462349900000021 0.5022564100000011 T T T 0.3692035700000034 0.3253202000000002 0.5787161299999966 T T T 0.3702472000000014 0.4693162000000015 0.3460534900000027 T T T 0.5338149099999967 0.4364492400000017 0.5291662300000013 T T T 0.5266927300000006 0.4906586299999987 0.4225279799999981 T T T 0.7011295499999974 0.5300624999999997 0.4580375600000011 F F F 0.2511542399999982 0.5090044299999974 0.4696728600000029 T T T 0.2779467100000019 0.5489755999999986 0.5730145699999980 T T T 0.2898002499999990 0.6141753200000011 0.4751956500000034 T T T 0.3755528000000012 0.2558594999999997 0.5566611799999990 T T T 0.4177566099999979 0.3516602199999994 0.6010723099999993 T T T 0.3339541499999967 0.3258729399999964 0.6353910400000018 T T T 0.3744559399999972 0.5364955100000017 0.3174570500000016 T T T 0.4142467200000013 0.4299932899999988 0.3267482199999989 T T T 0.3251417800000027 0.4371369400000020 0.3194610299999994 T T T 0.5387340899999984 0.5539255699999970 0.5221425800000006 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