iterations/neb0_image02_iter77_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
  0.3005407099999999  0.0877415799999994  0.6079407499999974   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
  0.3451881200000031  0.3445608800000031  0.5359444300000007   T   T   T
  0.1290143800000010  0.6290026799999993  0.3817640899999972   F   F   F
  0.3797710600000030  0.6220726700000014  0.3064522100000033   F   F   F
  0.3352784400000033  0.5890690599999999  0.6187767300000004   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
  0.3472993999999971  0.8367974800000013  0.5393772799999965   T   T   T
  0.6249543599999967  0.1710136299999974  0.3865198900000024   F   F   F
  0.8696252000000015  0.0967265499999996  0.3079913300000001   F   F   F
  0.8151265500000022  0.1219897399999965  0.6167175900000004   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
  0.8396630599999995  0.3540681599999971  0.5359808600000022   T   T   T
  0.6323330600000006  0.6766394599999970  0.3849358900000013   F   F   F
  0.8760226500000030  0.6024433299999998  0.3048653900000033   F   F   F
  0.8211415600000009  0.6537312800000024  0.6488289899999984   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
  0.8430319499999968  0.8567898499999984  0.5443063900000027   T   T   T
  0.9668820400000016  0.3860982899999996  0.6510240400000029   T   T   T
  0.5433773099999968  0.2127884200000025  0.6468794199999977   T   T   T
  0.5725709299999977  0.5107735400000024  0.6916054699999989   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
  0.2965708799999973  0.1857510299999987  0.5512108699999985   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
  0.3601800100000006  0.4353712999999999  0.5944151500000032   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
  0.1991244700000010  0.4076954800000010  0.5130873900000026   T   T   T
  0.2673866599999997  0.0700754799999999  0.3560916799999987   F   F   F
  0.1495724999999979  0.0698045600000015  0.6368209299999990   T   T   T
  0.0140602099999967  0.1445164399999967  0.3359237399999984   F   F   F
  0.8956796699999998  0.2309352899999979  0.6589247300000025   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
  0.3863642900000031  0.6890207399999966  0.5667061999999987   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
  0.3756131600000003  0.9451109500000001  0.5907905099999979   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
  0.1879133899999985  0.8565676500000023  0.5192146699999967   T   T   T
  0.2771304899999976  0.5771882199999965  0.3582191599999973   F   F   F
  0.0287768399999990  0.6421260099999984  0.3267830799999984   F   F   F
  0.9222981400000023  0.5352844299999973  0.6798910799999973   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
  0.7861783800000026  0.2022451899999993  0.5563951800000027   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
  0.9265676500000026  0.4281788300000002  0.5856548699999991   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
  0.7065240000000017  0.4357050099999995  0.5143202900000006   T   T   T
  0.7588572399999975  0.0973263400000022  0.3596277099999980   F   F   F
  0.6680160800000010  0.0957246899999973  0.6496818999999974   T   T   T
  0.5083132199999980  0.1857816200000002  0.3377214499999965   F   F   F
  0.3925523799999979  0.1512245999999990  0.6609107600000002   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
  0.8469774799999996  0.7187365300000010  0.5845177400000026   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
  0.8886914200000007  0.9793974399999996  0.5933321400000011   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
  0.6938646699999964  0.9058386100000035  0.5191100400000010   T   T   T
  0.7762729499999992  0.6218514400000004  0.3595773600000030   F   F   F
  0.6750482899999994  0.5725779699999975  0.6428253500000025   T   T   T
  0.5202385500000020  0.6812720499999969  0.3340168100000014   F   F   F
  0.4248763100000019  0.5854649199999997  0.6788042900000022   T   T   T
  0.5737223300000025  0.3427363799999981  0.6880348099999978   T   T   T
  0.5379685300000006  0.2577565899999996  0.5788318700000019   T   T   T
  0.8256664499999999  0.7732791600000013  0.6979068600000033   T   T   T
  0.1232398499999974  0.3651486500000019  0.6730543400000002   T   T   T
  0.1829669800000033  0.6466528500000024  0.6345611099999999   T   T   T
  0.6198567599999976  0.5510671500000015  0.7564881099999994   T   T   T
  0.3843531600000034  0.6789377400000021  0.7976276300000009   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
  0.6163145499999985  0.2232726599999992  0.5565709099999978   T   T   T
  0.0790779599999993  0.0122680099999997  0.6191938400000012   T   T   T
  0.7679786400000026  0.8540930799999984  0.6942363200000017   T   T   T
  0.1508747000000028  0.2687668299999970  0.6754074299999999   T   T   T
  0.1368070299999999  0.6090028699999976  0.6679295900000000   T   T   T
  0.7165612399999972  0.5408360599999966  0.7655001400000003   T   T   T
  0.4739974200000034  0.6350178400000033  0.8019327100000027   T   T   T
  0.3719302200000030  0.6758031600000010  0.7564308400000002   T   T   T
 
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