./iterations/neb0_image07_iter45_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
  0.3035747799999982  0.0896381499999990  0.6094828000000021   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
  0.3424128500000023  0.3500425100000015  0.5371669999999966   T   T   T
  0.1244303300000027  0.6316066699999965  0.3821126899999996   F   F   F
  0.3751870099999977  0.6246766599999987  0.3068008099999986   F   F   F
  0.3182151399999995  0.5955080299999977  0.6144602299999988   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
  0.3414402699999997  0.8413006299999992  0.5389620999999991   T   T   T
  0.6203703099999984  0.1736176200000017  0.3868684899999977   F   F   F
  0.8650411500000033  0.0993305399999969  0.3083399300000025   F   F   F
  0.8112083600000020  0.1235346599999971  0.6173332799999969   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
  0.8337139200000010  0.3536334100000005  0.5361149499999982   T   T   T
  0.6277490100000023  0.6792434500000013  0.3852844899999965   F   F   F
  0.8714385999999976  0.6050473199999971  0.3052139899999986   F   F   F
  0.8109772999999976  0.6574195299999985  0.6533880699999983   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
  0.8361001700000017  0.8556489099999993  0.5452755700000012   T   T   T
  0.9633204599999985  0.3875663099999969  0.6507917400000025   T   T   T
  0.5398647299999979  0.2258205899999979  0.6523377099999976   T   T   T
  0.5937475200000009  0.5048664299999999  0.7191293899999991   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
  0.3035472700000028  0.1892492200000007  0.5530636399999977   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
  0.3550470799999985  0.4410957899999985  0.5952031699999978   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
  0.1940496899999999  0.4071396699999994  0.5140359700000019   T   T   T
  0.2628026100000014  0.0726794699999971  0.3564402800000011   F   F   F
  0.1511680600000034  0.0728766200000024  0.6372643300000007   T   T   T
  0.0094761599999984  0.1471204300000011  0.3362723400000007   F   F   F
  0.8962746500000023  0.2313454199999967  0.6583664600000034   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
  0.3756000999999998  0.6894206899999986  0.5620394800000028   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
  0.3738834199999985  0.9451305500000018  0.5915882700000026   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
  0.1825519799999995  0.8654581199999996  0.5197913000000014   T   T   T
  0.2725464399999993  0.5797922100000008  0.3585677599999997   F   F   F
  0.0241927900000007  0.6447300000000027  0.3271316800000008   F   F   F
  0.9212116699999982  0.5387309199999990  0.6787676499999975   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
  0.7819686899999994  0.2007897800000009  0.5562082200000020   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
  0.9182167299999975  0.4293326600000000  0.5859994799999981   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
  0.7018335799999988  0.4370328199999989  0.5145608899999985   T   T   T
  0.7542731899999993  0.0999303299999994  0.3599763100000004   F   F   F
  0.6661314799999971  0.1075428400000007  0.6530433900000006   T   T   T
  0.5037291699999997  0.1883856099999974  0.3380700499999989   F   F   F
  0.3932143800000034  0.1498113299999986  0.6632351499999984   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
  0.8260211099999992  0.7177025399999977  0.5867464700000014   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
  0.8822307900000013  0.9787160200000002  0.5944242599999967   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
  0.6889218700000015  0.9073810800000004  0.5193983699999976   T   T   T
  0.7716889000000009  0.6244554299999976  0.3599259599999982   F   F   F
  0.6616072200000005  0.5862717600000025  0.6640818400000015   T   T   T
  0.5156544999999966  0.6838760400000012  0.3343654099999966   F   F   F
  0.4058127400000018  0.6093800700000003  0.6732712000000021   T   T   T
  0.5469450499999979  0.3518494899999993  0.6970661800000002   T   T   T
  0.5413705500000034  0.2759179099999969  0.5846124300000000   T   T   T
  0.8325003599999974  0.7827149100000028  0.6998864500000010   T   T   T
  0.1200950500000033  0.3670455999999973  0.6727222700000013   T   T   T
  0.1618940800000033  0.6486515900000001  0.6253341800000030   T   T   T
  0.7179627800000006  0.4649737399999978  0.7660282399999971   T   T   T
  0.4890064699999996  0.5869172800000015  0.7646023000000000   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
  0.6126624099999987  0.2289478499999973  0.5619694900000027   T   T   T
  0.0816003699999968  0.0160122500000028  0.6188432200000022   T   T   T
  0.7689707500000011  0.8592278899999997  0.6954885899999965   T   T   T
  0.1473312800000031  0.2702274600000010  0.6739122099999975   T   T   T
  0.1114074400000007  0.6157020400000022  0.6585048999999970   T   T   T
  0.7957291399999988  0.5274368899999970  0.7673474200000001   T   T   T
  0.5244643699999969  0.5854096899999988  0.8035527799999969   T   T   T
  0.3737946700000023  0.6559937999999974  0.7083497699999981   T   T   T
 
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