iterations/neb0_image02_iter12_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
  0.3028184200000013  0.0880207900000016  0.6087979500000031   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
  0.3449460400000035  0.3450787000000020  0.5360488999999973   T   T   T
  0.1290143800000010  0.6290026799999993  0.3817640899999972   F   F   F
  0.3797710600000030  0.6220726700000014  0.3064522100000033   F   F   F
  0.3291818399999968  0.5900637900000021  0.6178873799999991   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
  0.3457708099999977  0.8392855299999979  0.5390419399999971   T   T   T
  0.6249543599999967  0.1710136299999974  0.3865198900000024   F   F   F
  0.8696252000000015  0.0967265499999996  0.3079913300000001   F   F   F
  0.8143070300000019  0.1210899499999982  0.6167761299999981   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
  0.8388094000000024  0.3524590199999977  0.5358549199999985   T   T   T
  0.6323330600000006  0.6766394599999970  0.3849358900000013   F   F   F
  0.8760226500000030  0.6024433299999998  0.3048653900000033   F   F   F
  0.8178080400000027  0.6556476299999972  0.6504023899999964   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
  0.8416575800000032  0.8551035799999980  0.5445110799999995   T   T   T
  0.9649607799999984  0.3859940199999983  0.6510888899999969   T   T   T
  0.5435099899999969  0.2153814500000024  0.6483981200000031   T   T   T
  0.5645544400000020  0.5134339499999996  0.6956373700000000   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
  0.2990345700000034  0.1862352300000012  0.5520059799999970   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
  0.3589674199999990  0.4364728299999996  0.5946967400000034   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
  0.1988038000000003  0.4071217400000009  0.5132188899999974   T   T   T
  0.2673866599999997  0.0700754799999999  0.3560916799999987   F   F   F
  0.1521574499999971  0.0689320299999991  0.6377840899999967   T   T   T
  0.0140602099999967  0.1445164399999967  0.3359237399999984   F   F   F
  0.8973315599999978  0.2291433500000011  0.6585082200000016   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
  0.3788338299999978  0.6872829499999966  0.5643568200000004   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
  0.3771052000000026  0.9447612599999999  0.5911811200000017   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
  0.1870141099999998  0.8629176999999970  0.5194771600000010   T   T   T
  0.2771304899999976  0.5771882199999965  0.3582191599999973   F   F   F
  0.0287768399999990  0.6421260099999984  0.3267830799999984   F   F   F
  0.9189693100000014  0.5351842800000028  0.6795335699999967   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
  0.7852343699999977  0.2005218999999983  0.5561164200000022   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
  0.9241121000000021  0.4270128599999978  0.5857504800000015   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
  0.7060760299999984  0.4351144000000033  0.5143916099999970   T   T   T
  0.7588572399999975  0.0973263400000022  0.3596277099999980   F   F   F
  0.6679487700000024  0.0986784899999975  0.6506021300000029   T   T   T
  0.5083132199999980  0.1857816200000002  0.3377214499999965   F   F   F
  0.3932468000000000  0.1517376999999982  0.6617598300000012   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
  0.8395724700000002  0.7174823599999982  0.5850056000000023   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
  0.8868668900000003  0.9775900699999980  0.5936478899999997   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
  0.6932999400000028  0.9057283400000031  0.5190778799999975   T   T   T
  0.7762729499999992  0.6218514400000004  0.3595773600000030   F   F   F
  0.6693612700000031  0.5805221000000031  0.6480371000000034   T   T   T
  0.5202385500000020  0.6812720499999969  0.3340168100000014   F   F   F
  0.4205081599999971  0.5894859200000013  0.6794233000000034   T   T   T
  0.5696749999999966  0.3436158499999991  0.6909178299999965   T   T   T
  0.5398659700000010  0.2640983100000014  0.5808482600000033   T   T   T
  0.8276063400000027  0.7771981699999984  0.6982684999999975   T   T   T
  0.1210587500000031  0.3668664500000034  0.6741028200000017   T   T   T
  0.1712833500000031  0.6427511400000014  0.6289975299999995   T   T   T
  0.6318432599999966  0.5314174299999976  0.7618215199999980   T   T   T
  0.3787828199999979  0.6822761999999969  0.7940819399999981   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
  0.6150323099999966  0.2247013100000004  0.5582209199999966   T   T   T
  0.0820305700000006  0.0121277200000023  0.6195463000000032   T   T   T
  0.7666443700000016  0.8555018799999985  0.6943056400000032   T   T   T
  0.1499528200000029  0.2708364100000011  0.6760923499999976   T   T   T
  0.1267708499999998  0.6104226699999984  0.6639308999999969   T   T   T
  0.7304555699999966  0.5334203600000009  0.7713018199999979   T   T   T
  0.4612272999999973  0.6345463999999978  0.8009600199999980   T   T   T
  0.3499169400000000  0.6934155699999991  0.7533893399999982   T   T   T
 
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