iterations/neb0_image03_iter75_CONTCAR output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)

Status: running

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
  0.1272922599999973  0.1283990100000025  0.3858756799999981   F   F   F
  0.3729614100000020  0.1222975599999998  0.3070114200000020   F   F   F
  0.2997301300000004  0.0872239400000012  0.6077781700000031   T   T   T
  0.0996714699999970  0.3958424799999989  0.1495361699999975   F   F   F
  0.0926673100000031  0.3802965799999996  0.4624270699999968   F   F   F
  0.3507107300000030  0.3691844800000013  0.2284893599999975   F   F   F
  0.3444040799999968  0.3449555999999987  0.5360376200000019   T   T   T
  0.1280975700000013  0.6295234700000023  0.3818338100000034   F   F   F
  0.3788542500000034  0.6225934599999974  0.3065219300000024   F   F   F
  0.3373541799999984  0.5897003299999994  0.6190600400000008   T   T   T
  0.1127581300000031  0.8943571599999984  0.1464431799999986   F   F   F
  0.0875294200000027  0.8743286899999987  0.4634238100000019   F   F   F
  0.3588621600000010  0.8700882099999987  0.2283546999999970   F   F   F
  0.3466125799999986  0.8364088699999996  0.5392951099999976   T   T   T
  0.6240375499999971  0.1715344200000004  0.3865896100000015   F   F   F
  0.8687083900000019  0.0972473400000027  0.3080610499999992   F   F   F
  0.8141311299999998  0.1230759600000013  0.6170152600000023   T   T   T
  0.5959080499999985  0.3673447899999971  0.1483982299999980   F   F   F
  0.5992611100000005  0.4230242100000012  0.4608454299999991   F   F   F
  0.8461437599999968  0.3458927699999990  0.2293470600000020   F   F   F
  0.8387092600000017  0.3546698299999989  0.5360315200000016   T   T   T
  0.6314162500000009  0.6771602500000000  0.3850056100000003   F   F   F
  0.8751058400000034  0.6029641200000029  0.3049351100000024   F   F   F
  0.8226051700000028  0.6546256800000023  0.6490324399999992   T   T   T
  0.6032146399999974  0.8678704000000010  0.1474606199999968   F   F   F
  0.5892813000000032  0.9232164200000028  0.4630859000000029   F   F   F
  0.8562413499999977  0.8486443899999969  0.2262954500000021   F   F   F
  0.8421396600000008  0.8578088300000033  0.5444313400000027   T   T   T
  0.9671738600000026  0.3870465800000034  0.6508372300000005   T   T   T
  0.5417952900000031  0.2122568599999965  0.6474354799999986   T   T   T
  0.5758160000000032  0.5085600999999969  0.6921088699999984   T   T   T
  0.0707140900000027  0.0155558200000030  0.1032133100000010   F   F   F
  0.0806286600000021  0.0290745400000034  0.4383496100000031   F   F   F
  0.3006002799999976  0.2410957800000020  0.2682756499999996   F   F   F
  0.2976652899999976  0.1854759000000001  0.5510413800000009   T   T   T
  0.1535439800000020  0.2690150600000010  0.1074624999999969   F   F   F
  0.1553137200000023  0.2769086699999974  0.4148506499999982   F   F   F
  0.4173003000000008  0.4899151899999978  0.2677530699999977   F   F   F
  0.3585210199999977  0.4357975200000013  0.5946151200000003   T   T   T
  0.4643120499999966  0.3092619000000028  0.1839529800000008   F   F   F
  0.4475712699999974  0.3752725100000021  0.4805222700000016   F   F   F
  0.2218453099999991  0.4358458299999981  0.1942679799999993   F   F   F
  0.1980225699999991  0.4073378000000005  0.5132955500000023   T   T   T
  0.2664698500000000  0.0705962700000029  0.3561613999999977   F   F   F
  0.1481163099999989  0.0706019799999993  0.6362551300000021   T   T   T
  0.0131433999999970  0.1450372299999998  0.3359934599999974   F   F   F
  0.8948427500000022  0.2323764499999967  0.6590666499999998   T   T   T
  0.0499184700000015  0.5206743999999972  0.1095765199999974   F   F   F
  0.0700298799999999  0.5274303500000030  0.4311341100000021   F   F   F
  0.3074531600000014  0.7424949700000028  0.2680991900000009   F   F   F
  0.3874703600000018  0.6886966400000034  0.5664597399999991   T   T   T
  0.1649321499999985  0.7629563699999977  0.1065210399999970   F   F   F
  0.1431751399999968  0.7786286600000025  0.4119921799999986   F   F   F
  0.4208846900000012  0.9925865000000016  0.2681667499999989   F   F   F
  0.3744331099999982  0.9443203399999973  0.5908737099999968   T   T   T
  0.4757297700000009  0.8097417800000031  0.1854605799999973   F   F   F
  0.4389709800000006  0.8705802100000000  0.4835049799999993   F   F   F
  0.2326509700000017  0.9353215399999968  0.1920386399999998   F   F   F
  0.1871334200000021  0.8563255800000036  0.5192600800000022   T   T   T
  0.2762136799999979  0.5777090099999995  0.3582888800000035   F   F   F
  0.0278600299999994  0.6426468000000014  0.3268527999999975   F   F   F
  0.9257577500000025  0.5372584500000031  0.6798210500000010   T   T   T
  0.5571032400000036  0.9881545000000003  0.1043820000000011   F   F   F
  0.5746805599999973  0.0806017199999971  0.4413685399999991   F   F   F
  0.8165686099999974  0.1952576699999966  0.2563575400000033   F   F   F
  0.7853716099999986  0.2027682700000000  0.5565323900000010   T   T   T
  0.6496302099999980  0.2371674299999995  0.1081451200000032   F   F   F
  0.6579474099999985  0.3250345000000010  0.4100797999999983   F   F   F
  0.8782154299999974  0.4452316499999966  0.2834268200000025   F   F   F
  0.9251596699999993  0.4292039400000007  0.5857160699999966   T   T   T
  0.9742545399999969  0.3296652800000004  0.1857636000000014   F   F   F
  0.9455939599999965  0.3268387099999970  0.4869939700000003   F   F   F
  0.7154035000000007  0.4056549499999988  0.1944177000000025   F   F   F
  0.7056230800000023  0.4362873600000015  0.5143824999999964   T   T   T
  0.7579404299999979  0.0978471299999981  0.3596974299999971   F   F   F
  0.6674366399999982  0.0963953400000008  0.6501818400000019   T   T   T
  0.5073964099999984  0.1863024100000032  0.3377911700000027   F   F   F
  0.3913670900000028  0.1494282600000005  0.6610294400000001   T   T   T
  0.5533356500000011  0.4893475499999980  0.1055892899999975   F   F   F
  0.5870044699999966  0.5793721599999984  0.4379384400000035   F   F   F
  0.8252933200000001  0.6960363099999967  0.2512985899999975   F   F   F
  0.8464097700000011  0.7198522300000008  0.5846649599999978   T   T   T
  0.6537460999999993  0.7362151100000034  0.1073812699999976   F   F   F
  0.6475791299999969  0.8310700899999972  0.4108009799999977   F   F   F
  0.8887038100000026  0.9449593900000011  0.2814432500000024   F   F   F
  0.8872897500000008  0.9801095600000025  0.5936463999999972   T   T   T
  0.9842422899999974  0.8349674099999973  0.1827362200000024   F   F   F
  0.9357899500000002  0.8289468400000004  0.4858777500000002   F   F   F
  0.7259103999999965  0.9098842399999967  0.1915033800000003   F   F   F
  0.6929181300000025  0.9064584300000007  0.5191956600000012   T   T   T
  0.7753561399999995  0.6223722300000034  0.3596470800000020   F   F   F
  0.6784313100000006  0.5701436900000019  0.6432555399999984   T   T   T
  0.5193217400000023  0.6817928400000000  0.3340865300000004   F   F   F
  0.4297611799999999  0.5858937599999976  0.6785075700000007   T   T   T
  0.5698702299999994  0.3411150199999966  0.6892169999999993   T   T   T
  0.5380930000000035  0.2602527199999969  0.5797335000000032   T   T   T
  0.8267437800000010  0.7741251599999970  0.6980958999999984   T   T   T
  0.1236677899999989  0.3650447999999997  0.6723452100000031   T   T   T
  0.1859566999999984  0.6490115200000020  0.6349362999999997   T   T   T
  0.6332698800000003  0.5434889900000002  0.7564676200000022   T   T   T
  0.3993665200000009  0.6538223499999987  0.7954376100000005   T   T   T
  0.1022923599999999  0.1124124700000024  0.1073217900000003   F   F   F
  0.1988654000000025  0.2981679499999998  0.0726012000000011   F   F   F
  0.0950805599999995  0.6124516300000025  0.1096167500000007   F   F   F
  0.2091793499999994  0.7884780999999990  0.0709198500000028   F   F   F
  0.5914970899999972  0.0842832499999986  0.1080990999999969   F   F   F
  0.6882405500000033  0.2644162599999973  0.0716420700000029   F   F   F
  0.5917674000000019  0.5839855500000013  0.1083711100000002   F   F   F
  0.6937292599999978  0.7621503200000035  0.0709653799999970   F   F   F
  0.6157252699999987  0.2241815100000011  0.5574737600000006   T   T   T
  0.0774575200000029  0.0128451599999977  0.6188450399999965   T   T   T
  0.7696335300000001  0.8553875200000007  0.6946537800000030   T   T   T
  0.1502382400000002  0.2683615799999970  0.6746539600000006   T   T   T
  0.1360239899999982  0.6095506300000011  0.6669610800000001   T   T   T
  0.7326278000000030  0.5425687400000001  0.7605699900000005   T   T   T
  0.4949168899999989  0.6269470200000029  0.8014364100000009   T   T   T
  0.3947290300000006  0.6576209799999972  0.7541385999999974   T   T   T
 
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