./iterations/neb0_image05_iter4_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
  0.2801661499999994  0.4664623099999972  0.5208141100000034
  0.7535507799999976  0.4864850000000018  0.5497296100000000
  0.6014454800000024  0.4440511999999970  0.4167218400000010
  0.3488870500000019  0.5813583199999997  0.5412851700000019
  0.1650022999999976  0.4770684599999981  0.4967531100000002
  0.3251789999999986  0.3313151899999980  0.5258231800000033
  0.7140642199999974  0.4691037899999984  0.4134777399999976
  0.8567105799999979  0.5477134899999996  0.5769514899999990
  0.6890386099999972  0.4359392799999995  0.6602611499999966
  0.4218913899999990  0.6009467399999977  0.4382223799999991
  0.2903551100000001  0.6809354600000006  0.5544219900000016
  0.4080981899999969  0.5622193199999970  0.6388432299999991
  0.1407533900000004  0.5975768699999975  0.4940459600000011
  0.1138469200000003  0.4197681699999976  0.5868721499999978
  0.1406554200000016  0.4243974399999999  0.3880225899999985
  0.3874150400000005  0.3107555200000007  0.4307929100000010
  0.2491966199999993  0.2512036700000024  0.5178775099999982
  0.3747838399999992  0.3135725200000010  0.6322138299999978
  0.3987774900000005  0.6225627199999977  0.3657344900000012
  0.7389327100000003  0.5719939000000025  0.3503610699999982
  0.7551709800000026  0.3694760799999983  0.3589649399999999
  0.9014371000000025  0.5704164899999995  0.4678588100000027
  0.9151218700000001  0.4721771299999986  0.6439494199999984
  0.8479185099999995  0.6551935499999999  0.6391871100000017
  0.6057005199999992  0.5014908400000024  0.6785887300000013
  0.7456438199999980  0.4468217300000035  0.7625661200000025
  0.6647640199999998  0.3161304599999966  0.6452464199999994
  0.5763667399999974  0.3724323499999969  0.3843864899999971
  0.5535600899999977  0.5034003499999997  0.4264470099999969
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00