No title 1.00000000000000 9.7443200000000001 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.7443200000000001 0.0000000000000000 0.0000000000000000 0.0000000000000000 23.4276799999999987 Si O H 31 70 16 Selective dynamics Direct 0.1217913999999993 0.1315237999999965 0.3862939999999995 F F F 0.3674605499999970 0.1254223500000009 0.3074297400000034 F F F 0.3034480600000009 0.0899198099999978 0.6094229200000001 T T T 0.0941706099999990 0.3989672700000000 0.1499544899999989 F F F 0.0871664499999980 0.3834213700000006 0.4628453899999982 F F F 0.3452098699999979 0.3723092700000024 0.2289076799999989 F F F 0.3406297100000018 0.3509163800000010 0.5372460700000019 T T T 0.1225967100000034 0.6326482600000034 0.3822521299999977 F F F 0.3733533899999983 0.6257182499999985 0.3069402499999967 F F F 0.3148159100000001 0.5986914499999969 0.6132748699999979 T T T 0.1072572699999981 0.8974819499999995 0.1468615000000000 F F F 0.0820285599999977 0.8774534799999998 0.4638421300000033 F F F 0.3533613000000031 0.8732129999999998 0.2287730199999984 F F F 0.3385696200000012 0.8423677199999986 0.5385112199999966 T T T 0.6185366899999991 0.1746592100000015 0.3870079300000029 F F F 0.8632075299999968 0.1003721299999967 0.3084793700000006 F F F 0.8110719000000017 0.1236757200000014 0.6173215800000023 T T T 0.5904071900000005 0.3704695799999982 0.1488165499999994 F F F 0.5937602500000025 0.4261490000000023 0.4612637500000005 F F F 0.8406428999999989 0.3490175600000001 0.2297653800000035 F F F 0.8316281199999978 0.3543678899999989 0.5362225699999996 T T T 0.6259153900000030 0.6802850400000011 0.3854239300000017 F F F 0.8696049799999983 0.6060889099999969 0.3053534299999967 F F F 0.8147928599999972 0.6593743500000002 0.6537897799999968 T T T 0.5977137799999994 0.8709951900000021 0.1478789399999982 F F F 0.5837804399999982 0.9263412099999968 0.4635042199999972 F F F 0.8507404899999997 0.8517691799999980 0.2267137700000035 F F F 0.8340381699999995 0.8570654099999970 0.5454273000000001 T T T 0.9641503200000017 0.3902319000000034 0.6505808300000027 T T T 0.5427435699999990 0.2195261199999976 0.6536575800000008 T T T 0.6270539799999995 0.4833871800000011 0.7225390999999988 T T T 0.0652132299999977 0.0186806099999970 0.1036316300000024 F F F 0.0751277999999971 0.0321993299999974 0.4387679299999974 F F F 0.2950994199999997 0.2442205700000031 0.2686939700000011 F F F 0.3060124900000005 0.1889730099999980 0.5527741300000031 T T T 0.1480431199999970 0.2721398500000021 0.1078808199999983 F F F 0.1498128599999973 0.2800334599999985 0.4152689699999996 F F F 0.4117994400000029 0.4930399799999989 0.2681713899999991 F F F 0.3521826799999985 0.4425512700000027 0.5952883100000008 T T T 0.4588111899999987 0.3123866899999967 0.1843713000000022 F F F 0.4420704099999995 0.3783973000000032 0.4809405900000030 F F F 0.2163444500000011 0.4389706199999992 0.1946863000000008 F F F 0.1913785400000023 0.4060245300000034 0.5145629599999992 T T T 0.2609689900000021 0.0737210599999969 0.3565797199999992 F F F 0.1500058700000011 0.0750790600000002 0.6368164900000011 T T T 0.0076425399999991 0.1481620200000009 0.3364117799999988 F F F 0.8954899200000028 0.2331764400000012 0.6580589599999982 T T T 0.0444176100000035 0.5237991899999983 0.1099948399999988 F F F 0.0645290200000019 0.5305551399999970 0.4315524299999964 F F F 0.3019523000000035 0.7456197599999967 0.2685175100000023 F F F 0.3699557099999993 0.6879525599999994 0.5588418299999987 T T T 0.1594312900000006 0.7660811599999988 0.1069393599999984 F F F 0.1376742799999988 0.7817534499999965 0.4124105000000000 F F F 0.4153838300000032 0.9957112900000027 0.2685850700000003 F F F 0.3720837099999983 0.9439801199999991 0.5920041999999981 T T T 0.4702289100000030 0.8128665699999971 0.1858788999999987 F F F 0.4334701200000026 0.8737050000000011 0.4839233000000007 F F F 0.2271501099999966 0.9384463299999979 0.1924569600000012 F F F 0.1799392400000031 0.8706314499999976 0.5200107499999973 T T T 0.2707128200000000 0.5808338000000006 0.3587071999999978 F F F 0.0223591700000014 0.6457715900000025 0.3272711199999989 F F F 0.9330686799999981 0.5467720799999967 0.6773207499999998 T T T 0.5516023799999985 0.9912792900000014 0.1048003200000025 F F F 0.5691796999999994 0.0837265099999982 0.4417868600000006 F F F 0.8110677499999994 0.1983824599999977 0.2567758599999976 F F F 0.7800782500000025 0.2015448000000006 0.5563955499999977 T T T 0.6441293500000000 0.2402922200000006 0.1085634399999975 F F F 0.6524465500000005 0.3281592900000021 0.4104981199999997 F F F 0.8727145699999994 0.4483564399999977 0.2838451399999968 F F F 0.9141161200000028 0.4312664400000017 0.5863132500000034 T T T 0.9687536799999990 0.3327900700000015 0.1861819200000028 F F F 0.9400930999999986 0.3299634999999981 0.4874122900000017 F F F 0.7099026400000028 0.4087797399999999 0.1948360199999968 F F F 0.6996483799999993 0.4376420400000001 0.5147415799999990 T T T 0.7524395699999999 0.1009719199999992 0.3601157499999985 F F F 0.6664554500000008 0.1001206899999971 0.6524293599999993 T T T 0.5018955500000004 0.1894271999999972 0.3382094899999970 F F F 0.3928975899999969 0.1498639499999967 0.6633937900000006 T T T 0.5478347900000031 0.4924723399999991 0.1060076099999989 F F F 0.5815036099999986 0.5824969499999995 0.4383567599999978 F F F 0.8197924600000022 0.6991610999999978 0.2517169099999990 F F F 0.8220041499999979 0.7200684199999969 0.5873534799999973 T T T 0.6482452400000014 0.7393398999999974 0.1077995899999991 F F F 0.6420782699999990 0.8341948799999983 0.4112192999999991 F F F 0.8832029499999976 0.9480841800000022 0.2818615699999967 F F F 0.8829851400000024 0.9795571599999988 0.5940871000000030 T T T 0.9787414299999995 0.8380921999999984 0.1831545399999968 F F F 0.9302890900000023 0.8320716300000015 0.4862960700000016 F F F 0.7204095399999986 0.9130090299999978 0.1919217000000017 F F F 0.6869591199999974 0.9091141999999977 0.5195043800000008 T T T 0.7698552800000016 0.6254970199999974 0.3600654000000034 F F F 0.6727845400000021 0.5743721300000004 0.6660521000000017 T T T 0.5138208799999973 0.6849176300000011 0.3345048500000019 F F F 0.3996748100000005 0.6196491299999991 0.6726491200000027 T T T 0.5626122400000000 0.3373897700000015 0.7009972299999987 T T T 0.5425492899999966 0.2786510399999997 0.5876981199999989 T T T 0.8346523700000006 0.7848679800000014 0.6998234799999992 T T T 0.1211249300000006 0.3669842299999999 0.6716465599999992 T T T 0.1562506499999969 0.6503264400000006 0.6208982400000025 T T T 0.7603260400000025 0.4354261800000003 0.7613200600000027 T T T 0.5238590599999995 0.5681839800000006 0.7660992799999988 T T T 0.0967915000000019 0.1155372600000035 0.1077401100000017 F F F 0.1933645399999975 0.3012927400000009 0.0730195200000026 F F F 0.0895797000000016 0.6155764199999965 0.1100350700000021 F F F 0.2036784900000015 0.7916028900000001 0.0713381699999971 F F F 0.5859962299999992 0.0874080399999997 0.1085174199999983 F F F 0.6827396899999982 0.2675410499999984 0.0720603899999972 F F F 0.5862665399999969 0.5871103400000024 0.1087894300000016 F F F 0.6882283999999999 0.7652751099999975 0.0713836999999984 F F F 0.6125360500000028 0.2342274100000026 0.5637396899999985 T T T 0.0803038900000033 0.0180926299999982 0.6182932700000023 T T T 0.7723859800000028 0.8623897700000001 0.6967233600000000 T T T 0.1465624900000009 0.2696691299999969 0.6727723600000033 T T T 0.1043999299999996 0.6192339899999979 0.6542446799999979 T T T 0.8317013599999967 0.5037601100000018 0.7668644399999991 T T T 0.5527274900000023 0.5578674500000034 0.8056525100000016 T T T 0.3707429000000033 0.6788755899999970 0.7028054399999988 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00