iterations/neb0_image02_iter35_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
  0.3020903899999965  0.0874823300000003  0.6084842799999990   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
  0.3453856599999980  0.3452155700000006  0.5362504000000001   T   T   T
  0.1290143800000010  0.6290026799999993  0.3817640899999972   F   F   F
  0.3797710600000030  0.6220726700000014  0.3064522100000033   F   F   F
  0.3349849199999966  0.5885195600000017  0.6195781500000024   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
  0.3468181499999972  0.8373274400000028  0.5394733500000015   T   T   T
  0.6249543599999967  0.1710136299999974  0.3865198900000024   F   F   F
  0.8696252000000015  0.0967265499999996  0.3079913300000001   F   F   F
  0.8141375800000006  0.1213843100000034  0.6167252199999993   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
  0.8390001499999968  0.3528060599999989  0.5358897200000001   T   T   T
  0.6323330600000006  0.6766394599999970  0.3849358900000013   F   F   F
  0.8760226500000030  0.6024433299999998  0.3048653900000033   F   F   F
  0.8192013600000010  0.6558692300000004  0.6498914299999967   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
  0.8421767199999977  0.8557641200000035  0.5444288400000019   T   T   T
  0.9654443499999985  0.3863418400000000  0.6510929100000027   T   T   T
  0.5427990399999985  0.2146303900000035  0.6480677099999994   T   T   T
  0.5722164900000024  0.5102220599999967  0.6950728600000033   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
  0.2994291899999979  0.1859003900000005  0.5518600099999986   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
  0.3602735300000006  0.4350135700000024  0.5951533599999976   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
  0.1989853500000009  0.4069768600000003  0.5132929500000003   T   T   T
  0.2673866599999997  0.0700754799999999  0.3560916799999987   F   F   F
  0.1511723599999968  0.0696085699999998  0.6374248199999997   T   T   T
  0.0140602099999967  0.1445164399999967  0.3359237399999984   F   F   F
  0.8964252900000034  0.2300101800000007  0.6585456999999977   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
  0.3831649199999987  0.6882124799999971  0.5665198800000013   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
  0.3768051300000010  0.9447444700000034  0.5911575299999967   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
  0.1877213699999984  0.8616728599999988  0.5194291500000006   T   T   T
  0.2771304899999976  0.5771882199999965  0.3582191599999973   F   F   F
  0.0287768399999990  0.6421260099999984  0.3267830799999984   F   F   F
  0.9201310999999990  0.5356918700000008  0.6796708600000017   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
  0.7855677200000031  0.2007001500000030  0.5561113999999989   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
  0.9241793999999999  0.4278476300000023  0.5858188999999996   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
  0.7064027600000031  0.4353243400000011  0.5143151799999970   T   T   T
  0.7588572399999975  0.0973263400000022  0.3596277099999980   F   F   F
  0.6675672300000031  0.0980086100000008  0.6503939999999986   T   T   T
  0.5083132199999980  0.1857816200000002  0.3377214499999965   F   F   F
  0.3931765800000022  0.1500030699999968  0.6615961400000003   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
  0.8420013599999976  0.7182921899999997  0.5848810199999974   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
  0.8873383399999994  0.9783654599999991  0.5935662999999991   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
  0.6936202500000022  0.9058879899999965  0.5190872299999967   T   T   T
  0.7762729499999992  0.6218514400000004  0.3595773600000030   F   F   F
  0.6713930199999965  0.5782654400000027  0.6469068700000022   T   T   T
  0.5202385500000020  0.6812720499999969  0.3340168100000014   F   F   F
  0.4225743100000017  0.5860678600000000  0.6803644700000007   T   T   T
  0.5683965899999990  0.3434272800000002  0.6898408099999997   T   T   T
  0.5399538599999971  0.2633633200000034  0.5805859299999980   T   T   T
  0.8275660999999985  0.7766869000000014  0.6981522499999997   T   T   T
  0.1216449699999984  0.3663580400000015  0.6737221300000016   T   T   T
  0.1801131499999968  0.6436387700000026  0.6319909199999998   T   T   T
  0.6252533400000004  0.5380900099999977  0.7601544099999984   T   T   T
  0.3795564099999993  0.6818713999999986  0.7949802300000002   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
  0.6156484999999989  0.2249405800000019  0.5579387399999973   T   T   T
  0.0810750200000001  0.0124699400000026  0.6194403399999970   T   T   T
  0.7675923799999964  0.8558031900000032  0.6946026199999977   T   T   T
  0.1501446199999990  0.2700370399999983  0.6758409400000005   T   T   T
  0.1268329299999991  0.6106307200000032  0.6641955899999985   T   T   T
  0.7237462699999995  0.5338757800000025  0.7665518700000007   T   T   T
  0.4680563800000002  0.6306777900000000  0.7986131400000005   T   T   T
  0.3651164300000005  0.6844556499999968  0.7536430999999979   T   T   T
 
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