./iterations/neb0_image05_iter22_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
  0.2801333099999965  0.4665814499999996  0.5209124300000028
  0.7535593599999970  0.4864669600000013  0.5497561800000028
  0.6014589799999968  0.4441040199999975  0.4166730099999967
  0.3489780100000033  0.5813134500000032  0.5412797199999986
  0.1649868499999982  0.4772272700000002  0.4967250899999982
  0.3251515400000002  0.3314154700000032  0.5257827699999993
  0.7139855400000030  0.4690633800000015  0.4135289800000024
  0.8567144399999975  0.5476717800000017  0.5768713399999967
  0.6890667799999974  0.4359415099999993  0.6602298199999979
  0.4221878700000019  0.6005089299999966  0.4382109399999976
  0.2904007599999971  0.6807794699999974  0.5545225400000007
  0.4080170800000005  0.5622047600000002  0.6388123600000029
  0.1406942200000003  0.5977643800000010  0.4938822000000016
  0.1137477099999984  0.4199418899999969  0.5867310200000020
  0.1406047799999968  0.4244440399999974  0.3881245500000006
  0.3873306099999994  0.3106723200000019  0.4307239199999984
  0.2492222699999971  0.2512662500000005  0.5180613599999973
  0.3747330799999986  0.3136154800000028  0.6321094600000023
  0.3988836600000027  0.6225487099999967  0.3659723800000023
  0.7390259700000001  0.5718840400000005  0.3504168600000028
  0.7550620800000019  0.3695294899999979  0.3589510500000017
  0.9014882199999974  0.5704194300000012  0.4678492800000029
  0.9151055600000007  0.4720984599999980  0.6438530900000003
  0.8479505099999969  0.6550846100000030  0.6391942599999965
  0.6057059299999992  0.5014482599999965  0.6784991099999971
  0.7456473700000004  0.4467688499999980  0.7625213500000001
  0.6648751099999970  0.3161066500000018  0.6453102600000022
  0.5762329100000017  0.3725300500000017  0.3844559200000006
  0.5534834300000000  0.5035669999999968  0.4264593199999993
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00