./iterations/neb1_max1_image01_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
  0.2535777200000027  0.4863191000000029  0.5231742100000005
  0.7783025399999985  0.4681257200000033  0.5475249500000032
  0.6264149699999990  0.4254779199999987  0.4144680300000019
  0.3223036999999991  0.6011723499999988  0.5435690099999988
  0.1384637999999967  0.4968981199999973  0.4989783700000032
  0.2985262600000027  0.3511476600000023  0.5281930200000033
  0.7389190299999981  0.4506587300000007  0.4112414700000002
  0.8814346500000028  0.5292872899999992  0.5747970500000008
  0.7139486299999973  0.4174554299999969  0.6580891899999983
  0.3953843999999975  0.6205351199999996  0.4404806000000008
  0.2636541999999977  0.7005669799999978  0.5569311200000016
  0.3812966400000022  0.5820074100000028  0.6411502699999971
  0.1140909399999970  0.6173963499999999  0.4963835799999998
  0.0875145300000000  0.4395214299999992  0.5891330899999971
  0.1139244599999998  0.4442243000000019  0.3903733300000027
  0.3607304599999992  0.3304773200000000  0.4331715599999981
  0.2225476899999990  0.2710275399999986  0.5203787199999965
  0.3480800700000017  0.3333678300000003  0.6345618000000002
  0.3721259599999982  0.6423010700000020  0.3681357600000013
  0.7638676400000008  0.5535648600000016  0.3480905899999982
  0.7798999700000024  0.3510303500000020  0.3567418499999988
  0.9263526499999983  0.5518125700000027  0.4658240600000028
  0.9395756899999981  0.4536156400000024  0.6419583799999984
  0.8728009000000014  0.6368378800000016  0.6369221300000021
  0.6306146699999999  0.4830261000000036  0.6762850100000009
  0.7706120599999977  0.4283697799999970  0.7603531299999986
  0.6897578800000019  0.2976179999999999  0.6430459899999974
  0.6010745199999974  0.3540307800000022  0.3821331600000022
  0.5786373299999994  0.4850947099999985  0.4243311500000004
 
  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