./iterations/neb0_image01_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
  0.2565770100000009  0.4842276500000011  0.5229377599999978
  0.7754203300000029  0.4702382999999983  0.5477513000000016
  0.6236465499999966  0.4274515600000015  0.4146781500000003
  0.3253714000000016  0.5990562599999976  0.5431143500000033
  0.1415336999999965  0.4948400299999989  0.4985795099999990
  0.3014734400000023  0.3490737699999968  0.5279081999999988
  0.7361801899999989  0.4527179299999986  0.4115035800000015
  0.8785338899999999  0.5313262900000026  0.5751116400000029
  0.7112196799999992  0.4194361200000003  0.6583896599999974
  0.3985343900000018  0.6181261699999965  0.4401348600000006
  0.2665486000000001  0.6982536599999989  0.5568396299999989
  0.3840869400000031  0.5798603400000033  0.6408132099999975
  0.1170327000000029  0.6152712600000001  0.4960668100000021
  0.0907896399999970  0.4373608499999975  0.5887211800000003
  0.1167926299999991  0.4421139700000012  0.3900984400000027
  0.3636463500000033  0.3282462299999978  0.4329113599999985
  0.2255247100000020  0.2689324199999987  0.5202674900000019
  0.3509698200000031  0.3312292299999982  0.6342510699999977
  0.3750752099999985  0.6401017199999970  0.3679407999999995
  0.7611737300000030  0.5555708699999968  0.3482996700000029
  0.7769819999999967  0.3530718000000022  0.3569785400000001
  0.9236369699999969  0.5536814299999975  0.4662588899999989
  0.9363808100000028  0.4555380899999975  0.6424052699999976
  0.8700539299999974  0.6389279300000013  0.6371107900000013
  0.6279049600000022  0.4850222600000009  0.6764322599999986
  0.7679363299999977  0.4303809900000033  0.7605800500000015
  0.6871342099999964  0.2995985900000022  0.6433202400000013
  0.5981343199999998  0.3561160499999971  0.3823511499999981
  0.5761395199999981  0.4871965700000018  0.4246647100000018
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00