./iterations/neb0_image04_iter1_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
  0.2742650400000031  0.4708618100000024  0.5213004699999999
  0.7590772400000034  0.4823919600000011  0.5492681099999999
  0.6070758899999973  0.4398831099999967  0.4162274099999976
  0.3429226100000022  0.5857396999999978  0.5419134899999989
  0.1590805000000017  0.4814074700000006  0.4972670499999978
  0.3192657000000025  0.3356728099999984  0.5263676399999966
  0.7195503599999995  0.4649783600000035  0.4129488600000002
  0.8622279100000014  0.5436271100000027  0.5764519700000008
  0.6945700799999983  0.4318535700000012  0.6597582200000005
  0.4159210199999990  0.6053953300000003  0.4387161499999976
  0.2844464200000019  0.6853315500000008  0.5549124200000008
  0.4021929399999991  0.5666057299999991  0.6393771500000014
  0.1348357899999968  0.6019726999999975  0.4945901500000005
  0.1079260300000016  0.4241332599999978  0.5874348199999986
  0.1347429099999999  0.4287858900000003  0.3885380400000003
  0.3815011900000016  0.3151596599999991  0.4313215600000007
  0.2432572800000017  0.2555739100000025  0.5183797700000028
  0.3688769299999990  0.3179576900000001  0.6327623299999985
  0.3928633299999973  0.6269516799999977  0.3662205299999997
  0.7444540300000000  0.5679376800000000  0.3498510300000035
  0.7607104300000032  0.3653677300000027  0.3584746699999997
  0.9069608399999964  0.5663225400000016  0.4673587300000008
  0.9206630600000025  0.4680720200000010  0.6434810000000013
  0.8534403700000013  0.6511266600000027  0.6387029699999971
  0.6112168800000006  0.4974087699999998  0.6781072699999982
  0.7511803000000015  0.4427373899999978  0.7620957199999978
  0.6702740500000033  0.3120162299999976  0.6447412600000035
  0.5819072099999971  0.3683243300000001  0.3838846800000013
  0.5590276300000028  0.4993716700000022  0.4259671000000012
 
  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