./iterations/neb1_max2_image01_iter59_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
  0.2726359400000007  0.4526575000000008  0.5378717399999999
  0.7643345800000034  0.4890523799999968  0.5561708899999971
  0.6238528800000012  0.3622813599999972  0.4200512800000027
  0.3040996599999986  0.6180342800000034  0.5507731599999985
  0.1544472499999969  0.4656595499999980  0.4917168699999976
  0.3341546500000021  0.3134896199999986  0.5297033200000030
  0.7529157499999997  0.4349364099999988  0.4064326800000018
  0.8641831600000032  0.5618131700000006  0.5838283000000004
  0.6896384400000031  0.4375799499999999  0.6578116299999976
  0.3608818100000022  0.7912227799999982  0.3827050399999976
  0.2129489499999977  0.7161586599999978  0.6399717299999992
  0.4000799800000010  0.5608963900000035  0.6234356699999992
  0.1503153999999967  0.5906924700000005  0.4905159799999979
  0.1154561099999967  0.4130176399999996  0.5875887199999994
  0.1456637200000017  0.4135787100000030  0.3798194399999986
  0.3917663000000005  0.3013114800000025  0.4249314099999992
  0.2549761200000020  0.2397348399999970  0.5202575400000029
  0.3850397799999996  0.3069271199999974  0.6337650999999980
  0.3216966800000023  0.6519424999999970  0.3630508600000013
  0.7418258300000034  0.5758021999999983  0.3486970200000030
  0.8257781000000008  0.3452643899999970  0.3313127999999992
  0.8952312500000019  0.5786383900000018  0.4677339699999976
  0.9128767799999977  0.4773810399999974  0.6463725699999969
  0.8426042099999975  0.6649480999999966  0.6436293399999968
  0.6073530299999987  0.5062087199999965  0.6806949599999967
  0.7386548300000015  0.4513468099999969  0.7598375800000028
  0.6585292700000025  0.3188753399999982  0.6487348300000022
  0.6242792700000024  0.3000899500000003  0.3575305600000007
  0.6182147800000024  0.4634261400000028  0.4414750600000019
 
  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