./iterations/neb0_image07_iter12_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
  0.3037425300000010  0.0889650200000034  0.6092362099999988   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
  0.3419308200000017  0.3487481499999987  0.5369255600000002   T   T   T
  0.1244303300000027  0.6316066699999965  0.3821126899999996   F   F   F
  0.3751870099999977  0.6246766599999987  0.3068008099999986   F   F   F
  0.3216987799999984  0.5969535400000012  0.6167132899999999   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
  0.3415283499999973  0.8406115100000022  0.5388971200000015   T   T   T
  0.6203703099999984  0.1736176200000017  0.3868684899999977   F   F   F
  0.8650411500000033  0.0993305399999969  0.3083399300000025   F   F   F
  0.8131661700000024  0.1218165399999975  0.6167149899999984   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
  0.8339433599999992  0.3533023299999982  0.5361381000000023   T   T   T
  0.6277490100000023  0.6792434500000013  0.3852844899999965   F   F   F
  0.8714385999999976  0.6050473199999971  0.3052139899999986   F   F   F
  0.8170727299999996  0.6569530100000023  0.6520392500000014   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
  0.8370954499999996  0.8561476599999978  0.5449732900000015   T   T   T
  0.9646364899999966  0.3878097199999999  0.6506152999999983   T   T   T
  0.5440977599999997  0.2149122200000022  0.6513198199999977   T   T   T
  0.5914861299999998  0.5038287300000022  0.7157789299999990   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
  0.3046760499999976  0.1877452599999998  0.5525748199999967   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
  0.3558522200000027  0.4414338400000020  0.5958689100000001   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
  0.1940293800000035  0.4064142799999999  0.5140955800000029   T   T   T
  0.2628026100000014  0.0726794699999971  0.3564402800000011   F   F   F
  0.1512942100000032  0.0733692199999965  0.6371669299999994   T   T   T
  0.0094761599999984  0.1471204300000011  0.3362723400000007   F   F   F
  0.8962568199999978  0.2308297499999981  0.6579211999999970   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
  0.3759487600000000  0.6871988600000023  0.5616722700000025   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
  0.3736282400000022  0.9435582999999994  0.5917886499999980   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
  0.1828345799999980  0.8662865000000011  0.5196662900000035   T   T   T
  0.2725464399999993  0.5797922100000008  0.3585677599999997   F   F   F
  0.0241927900000007  0.6447300000000027  0.3271316800000008   F   F   F
  0.9293295499999985  0.5421410499999979  0.6779840600000000   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
  0.7825738200000032  0.2002833199999969  0.5558638899999977   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
  0.9175950099999994  0.4291684700000005  0.5860447399999984   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
  0.7018323200000012  0.4365224599999991  0.5145557299999979   T   T   T
  0.7542731899999993  0.0999303299999994  0.3599763100000004   F   F   F
  0.6681512500000011  0.0966061900000028  0.6511744299999975   T   T   T
  0.5037291699999997  0.1883856099999974  0.3380700499999989   F   F   F
  0.3937227099999987  0.1484765100000018  0.6627634399999991   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
  0.8292244100000019  0.7187073999999996  0.5860036799999975   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
  0.8859148900000022  0.9781748600000029  0.5934379600000028   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
  0.6893329500000007  0.9077738399999973  0.5192896599999983   T   T   T
  0.7716889000000009  0.6244554299999976  0.3599259599999982   F   F   F
  0.6698376300000035  0.5744760899999974  0.6573009700000014   T   T   T
  0.5156544999999966  0.6838760400000012  0.3343654099999966   F   F   F
  0.3962273100000004  0.6221883400000010  0.6806044799999995   T   T   T
  0.5646795500000010  0.3379703399999983  0.6972285100000022   T   T   T
  0.5432151300000001  0.2730453599999976  0.5852473200000006   T   T   T
  0.8302416100000016  0.7808207699999983  0.6990112399999973   T   T   T
  0.1211915299999973  0.3654819300000014  0.6726362899999998   T   T   T
  0.1626647800000001  0.6481809200000015  0.6239376799999974   T   T   T
  0.7185423999999969  0.4607436800000002  0.7621632800000029   T   T   T
  0.4851001700000026  0.6034490600000026  0.7735270000000014   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
  0.6143327300000010  0.2302752800000007  0.5615375599999979   T   T   T
  0.0815896599999988  0.0163170900000011  0.6187700300000003   T   T   T
  0.7688478399999994  0.8587433100000013  0.6951374499999972   T   T   T
  0.1472467700000024  0.2684588600000026  0.6738149500000006   T   T   T
  0.1134681699999973  0.6149947999999981  0.6575873900000033   T   T   T
  0.8006302200000022  0.5143400700000029  0.7685960800000018   T   T   T
  0.5233690100000032  0.5828410299999973  0.8084551800000028   T   T   T
  0.3693924800000019  0.6765021200000021  0.7126396999999969   T   T   T
 
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