iterations/neb0_image07_iter83_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
  0.3019239799999980  0.0887753700000005  0.6088734799999997   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
  0.3424310899999981  0.3475487799999968  0.5366363500000020   T   T   T
  0.1244303300000027  0.6316066699999965  0.3821126899999996   F   F   F
  0.3751870099999977  0.6246766599999987  0.3068008099999986   F   F   F
  0.3159633699999986  0.5941798100000000  0.6134477599999997   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
  0.3404801399999968  0.8416176599999972  0.5387395600000033   T   T   T
  0.6203703099999984  0.1736176200000017  0.3868684899999977   F   F   F
  0.8650411500000033  0.0993305399999969  0.3083399300000025   F   F   F
  0.8087566600000002  0.1253848500000032  0.6181272700000022   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
  0.8336855100000022  0.3542078300000000  0.5360727300000008   T   T   T
  0.6277490100000023  0.6792434500000013  0.3852844899999965   F   F   F
  0.8714385999999976  0.6050473199999971  0.3052139899999986   F   F   F
  0.8133151400000003  0.6617949299999992  0.6540397400000018   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
  0.8355095800000001  0.8565283699999995  0.5455601299999984   T   T   T
  0.9631476799999987  0.3903287799999973  0.6509260999999995   T   T   T
  0.5379467200000008  0.2263407000000015  0.6526906100000005   T   T   T
  0.5968536900000032  0.5041489799999965  0.7190435400000013   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
  0.3036035100000021  0.1858962199999965  0.5515094100000013   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
  0.3507113200000020  0.4388260599999967  0.5948372800000001   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
  0.1938740100000018  0.4054703899999978  0.5139798399999975   T   T   T
  0.2628026100000014  0.0726794699999971  0.3564402800000011   F   F   F
  0.1492987399999990  0.0728052899999980  0.6367419999999981   T   T   T
  0.0094761599999984  0.1471204300000011  0.3362723400000007   F   F   F
  0.8961289699999995  0.2331331999999975  0.6587498600000004   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
  0.3713873700000008  0.6872392000000005  0.5601067699999973   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
  0.3737174299999992  0.9436672799999997  0.5920559600000033   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
  0.1818689500000019  0.8690562999999969  0.5198416200000011   T   T   T
  0.2725464399999993  0.5797922100000008  0.3585677599999997   F   F   F
  0.0241927900000007  0.6447300000000027  0.3271316800000008   F   F   F
  0.9238065799999973  0.5432427000000004  0.6786795800000007   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
  0.7800460699999974  0.2029090099999991  0.5569311900000002   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
  0.9172623999999985  0.4306535199999999  0.5861216600000034   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
  0.7019976099999994  0.4377325299999981  0.5143982499999993   T   T   T
  0.7542731899999993  0.0999303299999994  0.3599763100000004   F   F   F
  0.6632955400000000  0.1089317699999981  0.6534681400000011   T   T   T
  0.5037291699999997  0.1883856099999974  0.3380700499999989   F   F   F
  0.3898603700000010  0.1532775399999977  0.6624782499999995   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
  0.8262880699999968  0.7200079400000021  0.5874146600000003   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
  0.8795119199999988  0.9800393399999976  0.5951070799999982   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
  0.6886998700000007  0.9078107599999967  0.5193568999999982   T   T   T
  0.7716889000000009  0.6244554299999976  0.3599259599999982   F   F   F
  0.6642145400000032  0.5912639200000029  0.6650665000000018   T   T   T
  0.5156544999999966  0.6838760400000012  0.3343654099999966   F   F   F
  0.4047125900000026  0.6062707899999964  0.6726357200000024   T   T   T
  0.5513810899999996  0.3503626299999993  0.6975869099999983   T   T   T
  0.5391932499999967  0.2778226599999982  0.5854156099999983   T   T   T
  0.8393428799999967  0.7867637800000011  0.7000089300000027   T   T   T
  0.1201303499999966  0.3702897000000007  0.6728860400000016   T   T   T
  0.1605764899999969  0.6506502200000028  0.6250448699999964   T   T   T
  0.7254179999999977  0.4672207400000019  0.7648892099999998   T   T   T
  0.4898997000000023  0.5786880300000021  0.7654116900000005   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
  0.6108453399999973  0.2321957099999992  0.5626894899999968   T   T   T
  0.0787956799999989  0.0154764400000005  0.6189947100000026   T   T   T
  0.7752086200000008  0.8630031900000006  0.6982734600000029   T   T   T
  0.1488135299999982  0.2740503500000031  0.6741239400000012   T   T   T
  0.1123204100000024  0.6157117999999997  0.6584062599999996   T   T   T
  0.8041111000000001  0.5287667500000026  0.7638488400000014   T   T   T
  0.5314428300000031  0.5815725900000004  0.8034811899999994   T   T   T
  0.3695169100000015  0.6533406200000016  0.7060597999999985   T   T   T
 
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