./iterations/neb1_max2_image01_iter80_CONTCAR output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished

No title                                
   1.00000000000000     
    15.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.0000000000000000
   N    Si   O    H 
     3     6     1    19
Direct
  0.0763917599999999  0.9814308199999999  0.6416816300000008
  0.9614744400000035  0.6552705399999965  0.7808198800000028
  0.4788869500000033  0.4103759400000015  0.4351397100000014
  0.0832532700000002  0.3159211999999982  0.7735739000000024
  0.2519324699999999  0.0613900999999970  0.4914761900000002
  0.4338228900000018  0.1209118000000018  0.8366737899999990
  0.1930278299999983  0.0093819699999997  0.8163816499999967
  0.7970162599999995  0.1164341200000010  0.5853383700000023
  0.0286294699999985  0.7598748599999965  0.3305402900000018
  0.1383892799999984  0.4516904099999977  0.3890222100000003
  0.0891496599999968  0.6258684599999995  0.3072620499999985
  0.5063143300000021  0.6564584400000015  0.1750806000000011
  0.3417024199999972  0.1352351999999968  0.3983883200000022
  0.8418592499999988  0.8963717299999985  0.8129469300000025
  0.1133159700000022  0.8057055000000020  0.0585589900000016
  0.2737951000000010  0.7445376299999964  0.3386458100000027
  0.2979873199999972  0.5514701800000026  0.7374576099999999
  0.6724833800000027  0.7582442200000017  0.8333534200000017
  0.9938139799999988  0.3190466900000004  0.5355083000000036
  0.8304881600000016  0.1972415199999986  0.6351677700000025
  0.6707212499999997  0.3144740999999982  0.4640724699999978
  0.7834411899999978  0.1831345200000030  0.3697006700000003
  0.0310226699999987  0.9062151899999975  0.7519825400000002
  0.8197727800000010  0.3516509399999990  0.7789631799999981
  0.8872378399999974  0.7800644200000022  0.6886274800000010
  0.4968533699999966  0.8135090600000012  0.7395394500000023
  0.4580405199999973  0.6593038099999973  0.7366550899999993
  0.8544826199999989  0.0076767999999987  0.3494668100000027
  0.5599822699999990  0.2018623900000023  0.3143869299999977
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00