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 0.3607112500000014 0.4665271499999974 0.4698693500000033 T T T 0.4272526700000014 0.5144980500000003 0.5225127499999971 T T T 0.3553891999999976 0.3617796899999988 0.4991709399999991 T T T 0.4956200900000027 0.5087786400000027 0.4957359900000000 T T T 0.2905256000000023 0.5372708299999971 0.5072493199999997 T T T 0.3721950199999995 0.3190993700000035 0.5825427799999972 T T T 0.3725347399999990 0.4633638500000004 0.3466882600000005 T T T 0.5182241500000018 0.4514567100000022 0.5353652399999973 T T T 0.4964206599999983 0.4886308900000031 0.4227501000000018 T T T 0.7417379700000026 0.5500222000000008 0.4138272300000025 F F F 0.2429164799999981 0.5106721300000032 0.4816162999999989 T T T 0.2883857599999970 0.5397220600000026 0.5799316599999997 T T T 0.2969560299999969 0.6051631799999981 0.4827733600000030 T T T 0.3805076800000009 0.2480007699999973 0.5702833799999993 T T T 0.4189352400000033 0.3487452700000020 0.6080858999999990 T T T 0.3330106000000015 0.3287886700000016 0.6330867100000006 T T T 0.3770850499999980 0.5291733899999969 0.3174627499999971 T T T 0.4135932499999981 0.4220640200000005 0.3239173799999975 T T T 0.3260421600000001 0.4331498000000025 0.3194804099999971 T T T 0.5207697999999965 0.5717518299999966 0.5077063399999986 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