./iterations/neb0_image05_iter18_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
  0.2801263899999995  0.4666019399999968  0.5209658699999977
  0.7535680399999976  0.4864675999999974  0.5497874499999966
  0.6014306399999967  0.4441125999999969  0.4166632800000016
  0.3489772799999997  0.5813119900000032  0.5412482199999999
  0.1649891699999984  0.4772293799999971  0.4967237099999977
  0.3251516600000031  0.3314339799999999  0.5257750199999975
  0.7140033599999995  0.4690589699999990  0.4135486200000003
  0.8567050500000022  0.5476703000000001  0.5768666399999987
  0.6890720099999967  0.4359546399999985  0.6602091600000008
  0.4222747499999997  0.6004825199999999  0.4381935700000028
  0.2903811099999984  0.6807595399999968  0.5545645899999982
  0.4079774499999971  0.5622171799999975  0.6387589300000016
  0.1406896200000034  0.5977554700000027  0.4938809300000031
  0.1137597700000015  0.4199489499999984  0.5866950400000022
  0.1405993199999998  0.4244464900000011  0.3881533099999999
  0.3873346199999972  0.3106549800000025  0.4307294199999987
  0.2492494399999998  0.2512807199999969  0.5180741499999968
  0.3747097899999972  0.3136111999999969  0.6320793599999988
  0.3988513700000027  0.6225516700000000  0.3659962999999991
  0.7390255899999971  0.5718524299999999  0.3504276299999987
  0.7550507699999969  0.3695674900000014  0.3589574399999975
  0.9014870999999971  0.5704174199999983  0.4678700600000028
  0.9150928999999977  0.4721151099999972  0.6438413199999999
  0.8479533699999990  0.6550596599999992  0.6391841599999992
  0.6057180199999976  0.5014382600000005  0.6784967399999999
  0.7456347899999969  0.4467581500000009  0.7624935300000004
  0.6648841499999989  0.3161296600000014  0.6453214900000006
  0.5762306399999986  0.3725465799999981  0.3844627000000003
  0.5535057399999985  0.5035334800000015  0.4264519099999973
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00