iterations/neb0_image07_iter37_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
  0.3044347700000003  0.0899482499999991  0.6097014999999999   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
  0.3427746600000035  0.3503685200000035  0.5373315100000013   T   T   T
  0.1244303300000027  0.6316066699999965  0.3821126899999996   F   F   F
  0.3751870099999977  0.6246766599999987  0.3068008099999986   F   F   F
  0.3191621900000001  0.5962474199999974  0.6148108100000016   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
  0.3413599599999984  0.8409489000000008  0.5389660100000029   T   T   T
  0.6203703099999984  0.1736176200000017  0.3868684899999977   F   F   F
  0.8650411500000033  0.0993305399999969  0.3083399300000025   F   F   F
  0.8108585800000014  0.1230678399999974  0.6172080099999988   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
  0.8337864000000010  0.3535499700000031  0.5362036599999982   T   T   T
  0.6277490100000023  0.6792434500000013  0.3852844899999965   F   F   F
  0.8714385999999976  0.6050473199999971  0.3052139899999986   F   F   F
  0.8117752300000021  0.6571306100000029  0.6528874199999990   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
  0.8364011299999987  0.8545687399999977  0.5455473600000005   T   T   T
  0.9635345299999969  0.3881896299999994  0.6508060600000007   T   T   T
  0.5408845400000004  0.2242103800000024  0.6519298199999994   T   T   T
  0.5932621099999977  0.5048003699999981  0.7195753100000033   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
  0.3035888400000033  0.1890771500000028  0.5532203699999982   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
  0.3559421200000017  0.4409300900000019  0.5957343299999991   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
  0.1941696600000000  0.4072641799999985  0.5140073299999983   T   T   T
  0.2628026100000014  0.0726794699999971  0.3564402800000011   F   F   F
  0.1517914399999967  0.0726624599999965  0.6370463299999969   T   T   T
  0.0094761599999984  0.1471204300000011  0.3362723400000007   F   F   F
  0.8960518199999967  0.2312346499999975  0.6583082000000005   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
  0.3764917100000034  0.6895124099999990  0.5623559699999987   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
  0.3735319099999970  0.9451923700000009  0.5917949700000023   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
  0.1824310499999982  0.8652799500000015  0.5195629199999985   T   T   T
  0.2725464399999993  0.5797922100000008  0.3585677599999997   F   F   F
  0.0241927900000007  0.6447300000000027  0.3271316800000008   F   F   F
  0.9209408199999984  0.5393170600000019  0.6783815000000004   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
  0.7825175899999977  0.2005324599999980  0.5561881599999978   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
  0.9181761299999991  0.4293705099999983  0.5861708699999966   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
  0.7020672200000035  0.4369717599999987  0.5146281199999976   T   T   T
  0.7542731899999993  0.0999303299999994  0.3599763100000004   F   F   F
  0.6655770599999968  0.1068074699999997  0.6526569299999991   T   T   T
  0.5037291699999997  0.1883856099999974  0.3380700499999989   F   F   F
  0.3942105900000001  0.1495968999999988  0.6629433399999982   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
  0.8267601700000000  0.7173578000000020  0.5869043200000021   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
  0.8837163299999986  0.9789250400000000  0.5940504499999975   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
  0.6893267499999993  0.9075510999999992  0.5194513000000001   T   T   T
  0.7716889000000009  0.6244554299999976  0.3599259599999982   F   F   F
  0.6614380400000002  0.5862830599999995  0.6632083300000033   T   T   T
  0.5156544999999966  0.6838760400000012  0.3343654099999966   F   F   F
  0.4055871999999994  0.6111528100000001  0.6746028299999978   T   T   T
  0.5468260800000024  0.3512387299999986  0.6966317600000025   T   T   T
  0.5418009999999995  0.2745662399999986  0.5848997200000028   T   T   T
  0.8307583599999973  0.7811692399999970  0.6994213700000032   T   T   T
  0.1206256899999971  0.3665981799999969  0.6727270299999972   T   T   T
  0.1617087099999992  0.6485273300000003  0.6253097000000025   T   T   T
  0.7169263700000030  0.4651038000000014  0.7662627400000019   T   T   T
  0.4896260299999966  0.5885496499999974  0.7652682000000013   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
  0.6127500400000017  0.2291174499999968  0.5619066699999991   T   T   T
  0.0814078499999979  0.0159054800000007  0.6188480100000007   T   T   T
  0.7690148100000016  0.8585997100000000  0.6952907200000027   T   T   T
  0.1475673300000011  0.2694928800000014  0.6739369599999989   T   T   T
  0.1113481300000032  0.6155537300000020  0.6585493500000013   T   T   T
  0.7951314800000020  0.5264943600000009  0.7676315300000027   T   T   T
  0.5226564700000011  0.5860851999999994  0.8033558699999972   T   T   T
  0.3740083300000023  0.6572159400000004  0.7086964900000012   T   T   T
 
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