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 0.1291258799999966 0.1273574200000027 0.3857362400000000 F F F 0.3747950300000014 0.1212559700000000 0.3068719799999968 F F F 0.3027122700000007 0.0877590999999995 0.6086540499999984 T T T 0.1015050900000034 0.3948008899999991 0.1493967299999994 F F F 0.0945009300000024 0.3792549899999997 0.4622876299999987 F F F 0.3525443500000023 0.3681428900000014 0.2283499199999994 F F F 0.3458764200000033 0.3442414700000000 0.5360060200000021 T T T 0.1299311900000006 0.6284818800000025 0.3816943699999982 F F F 0.3806878700000027 0.6215518699999976 0.3063824899999972 F F F 0.3290312600000007 0.5890129100000010 0.6177102999999988 T T T 0.1145917500000024 0.8933155699999986 0.1463037400000005 F F F 0.0893630400000021 0.8732870999999989 0.4632843699999967 F F F 0.3606957800000004 0.8690466199999989 0.2282152599999989 F F F 0.3469529699999967 0.8387856800000009 0.5391353199999998 T T T 0.6258711700000035 0.1704928300000006 0.3864501700000034 F F F 0.8705420100000012 0.0962057500000029 0.3079216100000011 F F F 0.8146213400000022 0.1209108400000005 0.6167837899999995 T T T 0.5977416699999978 0.3663031999999973 0.1482587899999999 F F F 0.6010947299999998 0.4219826200000014 0.4607059900000010 F F F 0.8479773800000032 0.3448511799999991 0.2292076199999968 F F F 0.8400199399999977 0.3522803299999993 0.5358737800000029 T T T 0.6332498700000002 0.6761186600000002 0.3848661700000022 F F F 0.8769394600000027 0.6019225300000031 0.3047956699999972 F F F 0.8169454100000024 0.6548638100000019 0.6499191199999999 T T T 0.6050482599999967 0.8668288100000012 0.1473211799999987 F F F 0.5911149200000025 0.9221748300000030 0.4629464599999977 F F F 0.8580749699999970 0.8476027999999971 0.2261560099999969 F F F 0.8428094699999988 0.8547540300000023 0.5444453300000021 T T T 0.9649292200000019 0.3854903499999978 0.6512989200000021 T T T 0.5435043000000022 0.2168204999999972 0.6478395199999980 T T T 0.5612698300000005 0.5162235299999978 0.6933545699999968 T T T 0.0725477100000020 0.0145142300000032 0.1030738700000029 F F F 0.0824622800000014 0.0280329499999965 0.4382101699999978 F F F 0.3024338999999969 0.2400541900000022 0.2681362100000015 F F F 0.2973648899999972 0.1858660600000022 0.5518887799999987 T T T 0.1553776000000013 0.2679734700000012 0.1073230599999988 F F F 0.1571473400000016 0.2758670799999976 0.4147112100000001 F F F 0.4191339200000002 0.4888735999999980 0.2676136299999996 F F F 0.3600912200000010 0.4354235500000030 0.5944583499999965 T T T 0.4661456700000031 0.3082203100000029 0.1838135400000027 F F F 0.4494048899999967 0.3742309200000022 0.4803828300000035 F F F 0.2236789299999984 0.4348042399999983 0.1941285400000012 F F F 0.2001287399999967 0.4073398900000029 0.5129446199999990 T T T 0.2683034699999993 0.0695546800000031 0.3560219599999996 F F F 0.1524334899999999 0.0675748999999968 0.6379615199999975 T T T 0.0149770200000034 0.1439956400000000 0.3358540199999993 F F F 0.8977492200000015 0.2285761600000029 0.6586640599999996 T T T 0.0517520900000008 0.5196328099999974 0.1094370799999993 F F F 0.0718634999999992 0.5263887600000032 0.4309946699999969 F F F 0.3092867800000008 0.7414533800000029 0.2679597500000028 F F F 0.3797198899999970 0.6877257900000018 0.5649007900000029 T T T 0.1667657699999978 0.7619147799999979 0.1063815999999989 F F F 0.1450087600000032 0.7775870700000027 0.4118527400000005 F F F 0.4227183100000005 0.9915449100000018 0.2680273100000008 F F F 0.3780804800000013 0.9451695899999990 0.5910192099999989 T T T 0.4775633900000003 0.8087001900000033 0.1853211399999992 F F F 0.4408045999999999 0.8695386200000002 0.4833655400000012 F F F 0.2344845900000010 0.9342799499999970 0.1918992000000017 F F F 0.1880779199999978 0.8619377500000027 0.5193713399999993 T T T 0.2780472999999972 0.5766674199999997 0.3581494399999983 F F F 0.0296936499999987 0.6416052100000016 0.3267133599999994 F F F 0.9158504299999990 0.5333738499999967 0.6797898299999972 T T T 0.5589368600000029 0.9871129100000005 0.1042425600000030 F F F 0.5765141799999967 0.0795601299999973 0.4412291000000010 F F F 0.8184022299999967 0.1942160799999968 0.2562180999999981 F F F 0.7859658899999999 0.2005551999999966 0.5562051799999992 T T T 0.6514638299999973 0.2361258399999997 0.1080056799999980 F F F 0.6597810299999978 0.3239929100000012 0.4099403600000002 F F F 0.8800490499999967 0.4441900599999968 0.2832873799999973 F F F 0.9260161999999994 0.4263649299999983 0.5857135899999975 T T T 0.9760881600000033 0.3286236900000006 0.1856241600000033 F F F 0.9474275800000029 0.3257971199999972 0.4868545300000022 F F F 0.7172371200000001 0.4046133599999990 0.1942782599999973 F F F 0.7071912099999977 0.4347061900000000 0.5143025200000011 T T T 0.7597740499999972 0.0968055399999983 0.3595579899999990 F F F 0.6677236199999967 0.0995018200000004 0.6504552999999973 T T T 0.5092300299999977 0.1852608200000034 0.3376517299999975 F F F 0.3934440199999969 0.1529156599999979 0.6614707199999970 T T T 0.5551692700000004 0.4883059599999982 0.1054498499999994 F F F 0.5888380900000030 0.5783305699999985 0.4377989999999983 F F F 0.8271269399999994 0.6949947199999968 0.2511591499999994 F F F 0.8423903600000031 0.7168985799999987 0.5848453400000011 T T T 0.6555797199999986 0.7351735200000036 0.1072418299999995 F F F 0.6494127500000033 0.8300284999999974 0.4106615399999995 F F F 0.8905374300000020 0.9439178000000013 0.2813038099999972 F F F 0.8871338000000009 0.9774517800000027 0.5937132099999971 T T T 0.9860759099999967 0.8339258199999975 0.1825967799999972 F F F 0.9376235699999995 0.8279052500000006 0.4857383100000021 F F F 0.7277440200000029 0.9088426499999969 0.1913639400000022 F F F 0.6943549699999991 0.9051464799999991 0.5189840099999969 T T T 0.7771897599999988 0.6213306399999965 0.3595076399999968 F F F 0.6672642500000023 0.5819659100000010 0.6467371600000007 T T T 0.5211553600000016 0.6807512500000001 0.3339470900000023 F F F 0.4177706500000014 0.5888535500000032 0.6792516000000006 T T T 0.5708353200000005 0.3464590500000000 0.6893636900000004 T T T 0.5388727500000030 0.2613910000000033 0.5797184500000014 T T T 0.8268939299999971 0.7761412099999987 0.6980330800000019 T T T 0.1209029799999968 0.3673093399999985 0.6745229899999998 T T T 0.1718018700000030 0.6414988000000008 0.6302014999999983 T T T 0.6124500399999988 0.5476245400000010 0.7605465899999970 T T T 0.3588628500000013 0.6969610000000017 0.7981501300000033 T T T 0.1041259799999992 0.1113708800000026 0.1071823500000022 F F F 0.2006990200000018 0.2971263600000000 0.0724617600000030 F F F 0.0969141799999989 0.6114100400000027 0.1094773100000026 F F F 0.2110129699999987 0.7874365099999991 0.0707804099999976 F F F 0.5933307100000036 0.0832416599999988 0.1079596599999988 F F F 0.6900741700000026 0.2633746699999975 0.0715026299999977 F F F 0.5936010200000013 0.5829439600000015 0.1082316700000021 F F F 0.6955628799999971 0.7611087299999966 0.0708259399999989 F F F 0.6151238300000017 0.2231165999999973 0.5572993199999985 T T T 0.0821569800000006 0.0109072200000000 0.6197752100000002 T T T 0.7659712700000014 0.8544957200000027 0.6940554099999972 T T T 0.1506970100000018 0.2715639700000025 0.6767624599999991 T T T 0.1306264400000003 0.6090834900000033 0.6657321200000013 T T T 0.7097039200000026 0.5396147200000030 0.7725658800000019 T T T 0.4478259899999983 0.6471043800000018 0.8028566799999979 T T T 0.3345331599999994 0.6998590000000036 0.7585379300000028 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