./iterations/neb1_max2_image01_iter94_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
  0.0749940999999978  0.9820156299999994  0.6418137000000002
  0.9628631699999985  0.6543164400000023  0.7799387399999986
  0.4844535599999986  0.4035383399999972  0.4351568900000018
  0.0783806999999968  0.3189946099999972  0.7772530499999988
  0.2508855499999996  0.0620775200000026  0.4914710700000029
  0.4327726499999969  0.1218384000000015  0.8370188900000031
  0.1970163700000001  0.0066232599999978  0.8156937899999974
  0.7980954699999998  0.1159049400000001  0.5853332900000012
  0.0301679100000030  0.7590809800000002  0.3301624400000023
  0.1277863999999980  0.4662426100000019  0.3878618500000002
  0.0855486399999990  0.6269597499999975  0.3103152500000022
  0.5041532099999984  0.6577132899999967  0.1734587099999985
  0.3407615200000009  0.1358693099999968  0.3982876899999965
  0.8403925499999971  0.8969391299999998  0.8131999200000024
  0.1121228499999987  0.8061713999999967  0.0582026499999984
  0.2724976200000029  0.7450566999999992  0.3385523000000035
  0.2968831900000026  0.5518466199999992  0.7377083800000008
  0.6716536400000024  0.7587715299999971  0.8335849500000023
  0.9888506200000009  0.3221125199999975  0.5345661300000017
  0.8317531200000019  0.1956697099999971  0.6355019000000013
  0.6751384499999986  0.3132697300000018  0.4630697899999987
  0.7844693799999973  0.1826687699999994  0.3695917100000017
  0.0323103300000014  0.9055594299999967  0.7520907099999974
  0.8209053900000001  0.3512740099999974  0.7791120699999965
  0.8887231000000000  0.7792162000000005  0.6886389300000033
  0.4977339499999971  0.8127662400000020  0.7395157600000033
  0.4589704200000000  0.6585480299999986  0.7367558299999999
  0.8581884800000026  0.0038647699999999  0.3483011800000000
  0.5668209600000012  0.1958281900000003  0.3142543900000021
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00