iterations/neb0_image07_iter74_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
  0.1236250199999986  0.1304822099999967  0.3861545600000014   F   F   F
  0.3692941700000034  0.1243807600000011  0.3072902999999982   F   F   F
  0.3022976499999999  0.0891229200000012  0.6091434699999994   T   T   T
  0.0960042299999984  0.3979256800000002  0.1498150500000008   F   F   F
  0.0890000699999973  0.3823797800000008  0.4627059500000001   F   F   F
  0.3470434899999972  0.3712676800000025  0.2287682400000008   F   F   F
  0.3422706500000032  0.3479434699999970  0.5365674700000014   T   T   T
  0.1244303300000027  0.6316066699999965  0.3821126899999996   F   F   F
  0.3751870099999977  0.6246766599999987  0.3068008099999986   F   F   F
  0.3166577100000012  0.5945318699999973  0.6134584500000031   T   T   T
  0.1090908899999974  0.8964403599999997  0.1467220600000019   F   F   F
  0.0838621799999970  0.8764118900000000  0.4637026899999981   F   F   F
  0.3551949200000024  0.8721714100000000  0.2286335800000003   F   F   F
  0.3408089400000023  0.8418316699999977  0.5385174800000030   T   T   T
  0.6203703099999984  0.1736176200000017  0.3868684899999977   F   F   F
  0.8650411500000033  0.0993305399999969  0.3083399300000025   F   F   F
  0.8091767299999972  0.1249093599999966  0.6179442600000016   T   T   T
  0.5922408099999998  0.3694279899999984  0.1486771100000013   F   F   F
  0.5955938700000019  0.4251074100000025  0.4611243100000024   F   F   F
  0.8424765199999982  0.3479759700000002  0.2296259399999983   F   F   F
  0.8337104499999981  0.3542351700000026  0.5361974400000022   T   T   T
  0.6277490100000023  0.6792434500000013  0.3852844899999965   F   F   F
  0.8714385999999976  0.6050473199999971  0.3052139899999986   F   F   F
  0.8131603400000031  0.6611013899999989  0.6542644600000003   T   T   T
  0.5995473999999987  0.8699536000000023  0.1477395000000001   F   F   F
  0.5856140599999975  0.9252996199999970  0.4633647799999991   F   F   F
  0.8525741099999991  0.8507275899999982  0.2265743299999983   F   F   F
  0.8354845499999968  0.8568775399999993  0.5455573699999974   T   T   T
  0.9631516899999966  0.3896822800000024  0.6508848200000017   T   T   T
  0.5380168000000012  0.2265101500000029  0.6526372300000034   T   T   T
  0.5967700200000010  0.5042383899999976  0.7193701300000015   T   T   T
  0.0670468499999970  0.0176390199999972  0.1034921899999972   F   F   F
  0.0769614200000035  0.0311577399999976  0.4386284899999993   F   F   F
  0.2969330399999990  0.2431789800000033  0.2685545300000030   F   F   F
  0.3030400299999982  0.1864795199999989  0.5517174299999965   T   T   T
  0.1498767400000034  0.2710982600000023  0.1077413800000002   F   F   F
  0.1516464799999966  0.2789918699999987  0.4151295300000015   F   F   F
  0.4136330600000022  0.4919983899999991  0.2680319500000010   F   F   F
  0.3512353699999977  0.4391983100000019  0.5945417699999993   T   T   T
  0.4606448099999980  0.3113450999999969  0.1842318599999970   F   F   F
  0.4439040299999988  0.3773557100000033  0.4808011499999978   F   F   F
  0.2181780700000004  0.4379290299999994  0.1945468600000027   F   F   F
  0.1936617200000015  0.4059655900000010  0.5139466299999995   T   T   T
  0.2628026100000014  0.0726794699999971  0.3564402800000011   F   F   F
  0.1498725399999969  0.0727205999999967  0.6370317100000022   T   T   T
  0.0094761599999984  0.1471204300000011  0.3362723400000007   F   F   F
  0.8967513600000032  0.2322212799999974  0.6585544200000015   T   T   T
  0.0462512300000029  0.5227575999999985  0.1098554000000007   F   F   F
  0.0663626400000012  0.5295135499999972  0.4314129899999983   F   F   F
  0.3037859200000028  0.7445781699999969  0.2683780699999971   F   F   F
  0.3713863700000033  0.6880621999999974  0.5603242899999969   T   T   T
  0.1612649099999999  0.7650395699999990  0.1067999200000003   F   F   F
  0.1395078999999981  0.7807118599999967  0.4122710600000019   F   F   F
  0.4172174500000025  0.9946697000000029  0.2684456300000022   F   F   F
  0.3737819799999968  0.9444940300000013  0.5918839799999986   T   T   T
  0.4720625300000023  0.8118249799999973  0.1857394600000006   F   F   F
  0.4353037400000019  0.8726634100000012  0.4837838600000026   F   F   F
  0.2289837300000030  0.9374047399999981  0.1923175200000031   F   F   F
  0.1819977700000024  0.8684300500000006  0.5200053000000011   T   T   T
  0.2725464399999993  0.5797922100000008  0.3585677599999997   F   F   F
  0.0241927900000007  0.6447300000000027  0.3271316800000008   F   F   F
  0.9240356899999966  0.5421647399999969  0.6787580599999998   T   T   T
  0.5534359999999978  0.9902377000000016  0.1046608799999973   F   F   F
  0.5710133199999987  0.0826849199999984  0.4416474200000025   F   F   F
  0.8129013699999987  0.1973408699999979  0.2566364199999995   F   F   F
  0.7803617300000028  0.2021058500000024  0.5567844799999975   T   T   T
  0.6459629699999994  0.2392506300000008  0.1084239999999994   F   F   F
  0.6542801699999998  0.3271177000000023  0.4103586800000016   F   F   F
  0.8745481899999987  0.4473148499999979  0.2837056999999987   F   F   F
  0.9175799200000014  0.4300732800000020  0.5862509900000035   T   T   T
  0.9705872999999983  0.3317484800000017  0.1860424799999976   F   F   F
  0.9419267199999979  0.3289219099999983  0.4872728499999965   F   F   F
  0.7117362600000021  0.4077381500000001  0.1946965799999987   F   F   F
  0.7021967800000013  0.4375654400000002  0.5144509400000032   T   T   T
  0.7542731899999993  0.0999303299999994  0.3599763100000004   F   F   F
  0.6640281299999984  0.1089460099999968  0.6537058299999998   T   T   T
  0.5037291699999997  0.1883856099999974  0.3380700499999989   F   F   F
  0.3901898100000025  0.1527558100000022  0.6626951499999976   T   T   T
  0.5496684100000024  0.4914307499999993  0.1058681700000008   F   F   F
  0.5833372299999979  0.5814553599999996  0.4382173199999997   F   F   F
  0.8216260800000015  0.6981195099999979  0.2515774700000009   F   F   F
  0.8254291900000013  0.7193619900000030  0.5875100399999980   T   T   T
  0.6500788600000007  0.7382983099999976  0.1076601500000010   F   F   F
  0.6439118899999983  0.8331532899999985  0.4110798600000010   F   F   F
  0.8850365699999969  0.9470425900000023  0.2817221299999986   F   F   F
  0.8787089899999998  0.9793035900000007  0.5951937299999983   T   T   T
  0.9805750499999988  0.8370506099999986  0.1830150999999987   F   F   F
  0.9321227100000016  0.8310300400000017  0.4861566299999964   F   F   F
  0.7222431599999979  0.9119674399999980  0.1917822599999965   F   F   F
  0.6883919500000033  0.9076075299999999  0.5192886900000033   T   T   T
  0.7716889000000009  0.6244554299999976  0.3599259599999982   F   F   F
  0.6631994099999972  0.5897627599999993  0.6647305899999978   T   T   T
  0.5156544999999966  0.6838760400000012  0.3343654099999966   F   F   F
  0.4047720200000029  0.6059611599999997  0.6723883900000018   T   T   T
  0.5502984900000030  0.3506973300000027  0.6978753400000031   T   T   T
  0.5397212499999995  0.2781151399999970  0.5853715100000016   T   T   T
  0.8382343800000029  0.7866614900000002  0.6999995099999978   T   T   T
  0.1199439700000013  0.3697929000000002  0.6727901599999981   T   T   T
  0.1609568399999972  0.6501813400000032  0.6250938200000036   T   T   T
  0.7232711799999976  0.4664528699999977  0.7646270600000022   T   T   T
  0.4890540600000008  0.5805340200000018  0.7652394599999965   T   T   T
  0.0986251200000012  0.1144956699999966  0.1076006699999965   F   F   F
  0.1951981599999968  0.3002511500000011  0.0728800799999973   F   F   F
  0.0914133200000009  0.6145348299999966  0.1098956299999969   F   F   F
  0.2055121100000008  0.7905613000000002  0.0711987299999990   F   F   F
  0.5878298499999985  0.0863664499999999  0.1083779800000002   F   F   F
  0.6845733099999975  0.2664994599999986  0.0719209499999991   F   F   F
  0.5881001600000033  0.5860687500000026  0.1086499900000035   F   F   F
  0.6900620199999992  0.7642335199999977  0.0712442600000003   F   F   F
  0.6107446500000009  0.2311172799999994  0.5627472999999981   T   T   T
  0.0796379499999986  0.0157265100000004  0.6190057800000019   T   T   T
  0.7732087899999982  0.8619915299999974  0.6975482699999986   T   T   T
  0.1478400900000025  0.2734215999999989  0.6740077500000012   T   T   T
  0.1122216099999989  0.6156015600000018  0.6583862000000025   T   T   T
  0.8009217999999976  0.5284636800000015  0.7649151099999969   T   T   T
  0.5303073400000002  0.5821036800000030  0.8033202800000012   T   T   T
  0.3709661400000002  0.6529872799999978  0.7060816199999991   T   T   T
 
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