./iterations/neb0_image04_iter21_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
  0.2742267799999993  0.4711076800000029  0.5214573599999994
  0.7590489000000034  0.4824091500000023  0.5492688100000009
  0.6069135600000024  0.4399878600000022  0.4161590900000007
  0.3431031300000029  0.5858198999999971  0.5417385699999997
  0.1590825199999983  0.4815830599999984  0.4972099399999976
  0.3192235900000000  0.3359205799999998  0.5263107700000020
  0.7194921500000007  0.4649661699999967  0.4130048099999968
  0.8622075700000025  0.5435651499999992  0.5763996700000007
  0.6946380600000026  0.4318000600000005  0.6597470600000008
  0.4164652400000008  0.6046976900000018  0.4386852700000006
  0.2844236299999992  0.6851852500000035  0.5550957600000004
  0.4019789299999985  0.5666457399999985  0.6392869000000019
  0.1347522499999982  0.6020707200000004  0.4944280599999971
  0.1078721299999970  0.4243173600000034  0.5872357300000033
  0.1346528699999965  0.4288085299999977  0.3886302499999985
  0.3814153300000029  0.3151138799999984  0.4312972600000009
  0.2433126500000000  0.2557466100000028  0.5186108899999979
  0.3687563000000011  0.3180291299999993  0.6326154599999967
  0.3929841200000013  0.6268583900000024  0.3665409899999972
  0.7445636899999997  0.5677895099999972  0.3498604199999988
  0.7604861800000009  0.3654096599999974  0.3584672400000031
  0.9070436499999985  0.5662771900000010  0.4674118000000007
  0.9205871500000029  0.4679666099999977  0.6433928699999996
  0.8534812299999999  0.6509985900000004  0.6387136900000030
  0.6112861800000005  0.4973128600000010  0.6779884700000025
  0.7512418100000033  0.4426368000000025  0.7620485400000021
  0.6704500700000011  0.3119384999999966  0.6448111500000024
  0.5816394200000019  0.3684816700000013  0.3839644899999968
  0.5591048499999971  0.4995240499999980  0.4260392400000015
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00