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 0.3693229100000011 0.4732427499999972 0.4683351899999977 T T T 0.4357463600000031 0.5149571800000032 0.5184421200000031 T T T 0.3575053300000022 0.3700865599999972 0.4972500200000027 T T T 0.5052552200000022 0.4970949699999991 0.4958168699999987 T T T 0.2993034300000019 0.5448828899999967 0.5023223999999971 T T T 0.3719396500000016 0.3226526300000003 0.5784189499999997 T T T 0.3754607799999974 0.4678852799999973 0.3443120600000000 T T T 0.5217533399999965 0.4366297500000016 0.5334488600000000 T T T 0.5107748200000017 0.4906062599999998 0.4253373100000033 T T T 0.7225024099999970 0.5405676099999965 0.4347689700000004 F F F 0.2525177300000010 0.5174274199999971 0.4753584899999979 T T T 0.2939634000000027 0.5476211599999985 0.5729792699999976 T T T 0.3039223199999981 0.6114265799999998 0.4781510800000035 T T T 0.3793065099999993 0.2512885399999973 0.5650974200000007 T T T 0.4179690500000035 0.3484346099999982 0.6054907799999967 T T T 0.3329385700000032 0.3316775400000012 0.6293713800000020 T T T 0.3773705099999987 0.5330628500000003 0.3146272199999984 T T T 0.4152826099999984 0.4292824799999977 0.3146734500000008 T T T 0.3288870399999979 0.4378667900000011 0.3209522499999977 T T T 0.5387405600000008 0.5540326100000001 0.5181747099999967 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