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 0.3533719599999969 0.4821535499999996 0.4754897299999996 T T T 0.4146115200000011 0.5298385299999993 0.5243130599999972 T T T 0.3329195900000030 0.3780055599999983 0.5047667999999987 T T T 0.5862965999999972 0.4835108300000002 0.4968210700000029 T T T 0.2731124499999993 0.5502052000000006 0.4961049799999984 T T T 0.3654193500000034 0.3292593700000026 0.5737613800000005 T T T 0.3677195599999976 0.4742764399999970 0.3496658199999985 T T T 0.5720666200000011 0.4127835299999987 0.5166842300000027 T T T 0.5777514500000009 0.4804572500000006 0.4200108699999987 T T T 0.6455601400000006 0.5027492299999992 0.5185359199999979 F F F 0.2312260899999998 0.5162528099999975 0.4631197400000033 T T T 0.2646970999999994 0.5540822000000034 0.5683205899999990 T T T 0.2809905499999985 0.6172147899999985 0.4685243099999994 T T T 0.3725705199999965 0.2601035200000013 0.5509926200000024 T T T 0.4139784400000011 0.3590371299999973 0.5920848199999966 T T T 0.3331934799999985 0.3278020400000017 0.6335563900000025 T T T 0.3722931300000027 0.5421607600000016 0.3229732100000007 T T T 0.4142501899999971 0.4372124300000024 0.3383784500000004 T T T 0.3253268500000033 0.4389606800000010 0.3193578699999975 T T T 0.5392561999999970 0.5201343000000023 0.5167659700000016 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