iterations/neb0_image07_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
  0.1236250199999986  0.1304822099999967  0.3861545600000014   F   F   F
  0.3692941700000034  0.1243807600000011  0.3072902999999982   F   F   F
  0.3021526799999990  0.0890609100000006  0.6091561499999969   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
  0.3424381600000004  0.3479629799999984  0.5365524999999991   T   T   T
  0.1244303300000027  0.6316066699999965  0.3821126899999996   F   F   F
  0.3751870099999977  0.6246766599999987  0.3068008099999986   F   F   F
  0.3164551699999976  0.5943542999999991  0.6133567700000029   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
  0.3407069499999977  0.8417484499999972  0.5385248799999971   T   T   T
  0.6203703099999984  0.1736176200000017  0.3868684899999977   F   F   F
  0.8650411500000033  0.0993305399999969  0.3083399300000025   F   F   F
  0.8089342299999984  0.1250750600000003  0.6180052400000022   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
  0.8337375400000013  0.3543307500000026  0.5362173500000011   T   T   T
  0.6277490100000023  0.6792434500000013  0.3852844899999965   F   F   F
  0.8714385999999976  0.6050473199999971  0.3052139899999986   F   F   F
  0.8134327799999994  0.6615119900000010  0.6542502900000002   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
  0.8354144999999988  0.8568937000000005  0.5455979600000020   T   T   T
  0.9632155899999972  0.3900312399999990  0.6508934900000014   T   T   T
  0.5378343100000009  0.2265285300000031  0.6526455500000026   T   T   T
  0.5972342100000034  0.5041878099999977  0.7196061400000033   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
  0.3030894799999970  0.1862376899999987  0.5515622500000035   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
  0.3508679899999976  0.4389860200000015  0.5945483799999991   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
  0.1936882099999977  0.4058388400000013  0.5139425799999984   T   T   T
  0.2628026100000014  0.0726794699999971  0.3564402800000011   F   F   F
  0.1496934299999992  0.0726642600000034  0.6369467600000007   T   T   T
  0.0094761599999984  0.1471204300000011  0.3362723400000007   F   F   F
  0.8966199999999986  0.2324048400000009  0.6586216700000023   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
  0.3710974899999968  0.6879061400000026  0.5602204099999994   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
  0.3737728899999979  0.9442468700000006  0.5919456999999966   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
  0.1820320200000012  0.8687254299999978  0.5200167799999988   T   T   T
  0.2725464399999993  0.5797922100000008  0.3585677599999997   F   F   F
  0.0241927900000007  0.6447300000000027  0.3271316800000008   F   F   F
  0.9240840300000031  0.5425023800000019  0.6787476900000016   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
  0.7801939300000029  0.2023503799999986  0.5568564300000034   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
  0.9174228299999996  0.4301821399999994  0.5862267199999991   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
  0.7021604099999976  0.4376202500000019  0.5144084200000023   T   T   T
  0.7542731899999993  0.0999303299999994  0.3599763100000004   F   F   F
  0.6637714000000017  0.1091448999999969  0.6537348499999993   T   T   T
  0.5037291699999997  0.1883856099999974  0.3380700499999989   F   F   F
  0.3898737900000029  0.1530221399999974  0.6626181999999972   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
  0.8255459299999970  0.7195944600000033  0.5874963699999967   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
  0.8786570400000002  0.9794421400000033  0.5952324699999991   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
  0.6883781100000022  0.9076345499999974  0.5192635200000026   T   T   T
  0.7716889000000009  0.6244554299999976  0.3599259599999982   F   F   F
  0.6631411600000021  0.5903846900000005  0.6648841499999989   T   T   T
  0.5156544999999966  0.6838760400000012  0.3343654099999966   F   F   F
  0.4047806399999985  0.6054675099999969  0.6721275000000020   T   T   T
  0.5503610000000023  0.3507920699999971  0.6978526199999990   T   T   T
  0.5395331400000032  0.2782527600000009  0.5853975899999995   T   T   T
  0.8388212500000023  0.7869284900000011  0.7000497900000013   T   T   T
  0.1199049399999979  0.3700931999999995  0.6728096100000016   T   T   T
  0.1610088899999980  0.6503518800000023  0.6250910199999993   T   T   T
  0.7240045899999998  0.4667441300000021  0.7646074800000022   T   T   T
  0.4893231200000017  0.5796564899999979  0.7653428099999999   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
  0.6105848099999989  0.2314585399999984  0.5628085800000022   T   T   T
  0.0793844199999967  0.0156954600000034  0.6190296300000000   T   T   T
  0.7737997400000012  0.8624074499999992  0.6978104599999995   T   T   T
  0.1480684200000013  0.2737198599999999  0.6740365499999967   T   T   T
  0.1122078400000035  0.6156055000000009  0.6584084200000007   T   T   T
  0.8016757299999995  0.5287120099999996  0.7645452300000031   T   T   T
  0.5307896799999980  0.5817625500000005  0.8030474800000036   T   T   T
  0.3705335100000013  0.6527604699999969  0.7059650699999978   T   T   T
 
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