iterations/neb0_image02_iter81_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
  0.1282090699999969  0.1278782199999995  0.3858059599999990   F   F   F
  0.3738782200000017  0.1217767699999968  0.3069417000000030   F   F   F
  0.3004265300000029  0.0877672700000005  0.6079278699999975   T   T   T
  0.1005882799999966  0.3953216900000029  0.1494664499999985   F   F   F
  0.0935841200000027  0.3797757899999965  0.4623573499999978   F   F   F
  0.3516275400000026  0.3686636899999982  0.2284196399999985   F   F   F
  0.3449643499999979  0.3444263599999999  0.5359373100000013   T   T   T
  0.1290143800000010  0.6290026799999993  0.3817640899999972   F   F   F
  0.3797710600000030  0.6220726700000014  0.3064522100000033   F   F   F
  0.3354197999999968  0.5887981899999986  0.6186232399999980   T   T   T
  0.1136749400000028  0.8938363700000025  0.1463734599999995   F   F   F
  0.0884462300000024  0.8738079000000027  0.4633540900000028   F   F   F
  0.3597789700000007  0.8695674200000028  0.2282849799999980   F   F   F
  0.3469706599999967  0.8371028299999992  0.5393443899999966   T   T   T
  0.6249543599999967  0.1710136299999974  0.3865198900000024   F   F   F
  0.8696252000000015  0.0967265499999996  0.3079913300000001   F   F   F
  0.8150026100000005  0.1220865900000021  0.6167836099999988   T   T   T
  0.5968248599999981  0.3668240000000011  0.1483285099999989   F   F   F
  0.6001779200000001  0.4225034199999982  0.4607757100000001   F   F   F
  0.8470605699999965  0.3453719800000030  0.2292773400000030   F   F   F
  0.8396808099999973  0.3541551300000023  0.5359737300000020   T   T   T
  0.6323330600000006  0.6766394599999970  0.3849358900000013   F   F   F
  0.8760226500000030  0.6024433299999998  0.3048653900000033   F   F   F
  0.8212818900000016  0.6534124399999968  0.6487261500000017   T   T   T
  0.6041314499999970  0.8673496099999980  0.1473908999999978   F   F   F
  0.5901981100000029  0.9226956299999998  0.4630161799999968   F   F   F
  0.8571581599999973  0.8481236000000010  0.2262257300000030   F   F   F
  0.8430850900000024  0.8565815600000022  0.5443330599999996   T   T   T
  0.9669904799999998  0.3861206500000023  0.6510184400000014   T   T   T
  0.5434913300000019  0.2128140299999970  0.6467679699999991   T   T   T
  0.5727279899999971  0.5110044600000023  0.6912856900000008   T   T   T
  0.0716309000000024  0.0150350299999999  0.1031435900000020   F   F   F
  0.0815454700000018  0.0285537500000004  0.4382798899999969   F   F   F
  0.3015170899999973  0.2405749899999989  0.2682059300000006   F   F   F
  0.2961146900000031  0.1859304399999999  0.5511081200000021   T   T   T
  0.1544607900000017  0.2684942699999979  0.1073927799999979   F   F   F
  0.1562305300000020  0.2763878800000015  0.4147809299999992   F   F   F
  0.4182171100000005  0.4893944000000019  0.2676833499999987   F   F   F
  0.3603580899999983  0.4352440500000014  0.5943843700000002   T   T   T
  0.4652288600000034  0.3087411099999997  0.1838832600000018   F   F   F
  0.4484880799999971  0.3747517199999990  0.4804525500000025   F   F   F
  0.2227621199999987  0.4353250400000022  0.1941982600000003   F   F   F
  0.1992664799999986  0.4078520999999995  0.5131009300000002   T   T   T
  0.2673866599999997  0.0700754799999999  0.3560916799999987   F   F   F
  0.1494836700000022  0.0698074499999990  0.6368598500000004   T   T   T
  0.0140602099999967  0.1445164399999967  0.3359237399999984   F   F   F
  0.8958212100000011  0.2308861500000035  0.6589301599999970   T   T   T
  0.0508352800000011  0.5201536100000013  0.1095067999999983   F   F   F
  0.0709466899999995  0.5269095600000000  0.4310643900000031   F   F   F
  0.3083699700000011  0.7419741799999997  0.2680294700000019   F   F   F
  0.3859794199999982  0.6888290600000033  0.5664994500000020   T   T   T
  0.1658489599999982  0.7624355800000018  0.1064513199999979   F   F   F
  0.1440919500000035  0.7781078699999995  0.4119224599999995   F   F   F
  0.4218015000000008  0.9920657099999985  0.2680970299999998   F   F   F
  0.3754108999999985  0.9451820000000026  0.5907457499999964   T   T   T
  0.4766465800000006  0.8092209900000000  0.1853908599999983   F   F   F
  0.4398877900000002  0.8700594199999969  0.4834352600000003   F   F   F
  0.2335677800000013  0.9348007500000008  0.1919689200000008   F   F   F
  0.1878064200000011  0.8567832100000032  0.5192586100000014   T   T   T
  0.2771304899999976  0.5771882199999965  0.3582191599999973   F   F   F
  0.0287768399999990  0.6421260099999984  0.3267830799999984   F   F   F
  0.9221262300000035  0.5350688199999993  0.6799173499999966   T   T   T
  0.5580200500000032  0.9876337099999972  0.1043122800000020   F   F   F
  0.5755973699999970  0.0800809300000012  0.4412988200000001   F   F   F
  0.8174854199999970  0.1947368800000007  0.2562878199999972   F   F   F
  0.7861819100000034  0.2024312400000028  0.5564177299999997   T   T   T
  0.6505470199999976  0.2366466399999965  0.1080753999999970   F   F   F
  0.6588642199999981  0.3245137099999980  0.4100100799999993   F   F   F
  0.8791322399999970  0.4447108600000007  0.2833571000000035   F   F   F
  0.9268438599999982  0.4282103299999989  0.5856133200000002   T   T   T
  0.9751713499999966  0.3291444899999973  0.1856938800000023   F   F   F
  0.9465107700000033  0.3263179200000010  0.4869242500000013   F   F   F
  0.7163203100000004  0.4051341600000029  0.1943479800000034   F   F   F
  0.7065018600000030  0.4356709699999968  0.5143176099999991   T   T   T
  0.7588572399999975  0.0973263400000022  0.3596277099999980   F   F   F
  0.6680380800000023  0.0958020099999999  0.6496197600000002   T   T   T
  0.5083132199999980  0.1857816200000002  0.3377214499999965   F   F   F
  0.3923152899999991  0.1514234300000012  0.6608011300000030   T   T   T
  0.5542524600000007  0.4888267600000020  0.1055195699999985   F   F   F
  0.5879212800000033  0.5788513700000024  0.4378687199999973   F   F   F
  0.8262101299999998  0.6955155200000007  0.2512288699999985   F   F   F
  0.8473052900000013  0.7189363700000015  0.5844311099999970   T   T   T
  0.6546629099999990  0.7356943200000003  0.1073115499999986   F   F   F
  0.6484959399999966  0.8305493000000013  0.4107312599999986   F   F   F
  0.8896206200000023  0.9444385999999980  0.2813735300000033   F   F   F
  0.8887889599999994  0.9794229099999967  0.5932770399999967   T   T   T
  0.9851590999999971  0.8344466200000014  0.1826665000000034   F   F   F
  0.9367067599999999  0.8284260499999974  0.4858080300000012   F   F   F
  0.7268272100000033  0.9093634500000007  0.1914336600000013   F   F   F
  0.6938808600000002  0.9058509500000014  0.5191355099999981   T   T   T
  0.7762729499999992  0.6218514400000004  0.3595773600000030   F   F   F
  0.6754556300000019  0.5724778700000002  0.6424168699999981   T   T   T
  0.5202385500000020  0.6812720499999969  0.3340168100000014   F   F   F
  0.4255596300000022  0.5856293699999995  0.6787050699999995   T   T   T
  0.5739804099999972  0.3428148100000001  0.6877784200000008   T   T   T
  0.5376305400000021  0.2571562799999967  0.5786972399999968   T   T   T
  0.8252481099999969  0.7727500399999983  0.6978703899999985   T   T   T
  0.1234629799999993  0.3650744199999991  0.6730141199999977   T   T   T
  0.1830229899999978  0.6462951500000003  0.6346082600000003   T   T   T
  0.6200296299999977  0.5517629499999970  0.7562371699999986   T   T   T
  0.3842043399999966  0.6786045899999991  0.7983506500000033   T   T   T
  0.1032091699999995  0.1118916799999994  0.1072520700000013   F   F   F
  0.1997822100000022  0.2976471599999968  0.0725314800000021   F   F   F
  0.0959973699999992  0.6119308399999994  0.1095470300000017   F   F   F
  0.2100961599999991  0.7879573100000030  0.0708501299999966   F   F   F
  0.5924138999999968  0.0837624600000026  0.1080293799999978   F   F   F
  0.6891573600000029  0.2638954700000014  0.0715723499999967   F   F   F
  0.5926842100000016  0.5834647599999983  0.1083013900000012   F   F   F
  0.6946460699999975  0.7616295300000004  0.0708956599999979   F   F   F
  0.6162118199999966  0.2231114900000009  0.5564137799999997   T   T   T
  0.0790597199999965  0.0122693200000015  0.6191592799999981   T   T   T
  0.7678349500000010  0.8537164899999965  0.6940852899999967   T   T   T
  0.1510681199999979  0.2685758100000015  0.6753715500000013   T   T   T
  0.1379657100000031  0.6091374599999995  0.6683869900000019   T   T   T
  0.7165589199999971  0.5417700900000000  0.7655471200000008   T   T   T
  0.4744392799999986  0.6359058099999970  0.8023737500000010   T   T   T
  0.3719312799999983  0.6751374500000011  0.7567626700000005   T   T   T
 
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