NH2* away from TMOS (pair job 106)      
   1.00000000000000     
    20.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   15.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   15.0000000000000000
   Si   O    C    H    N 
     1     4     4    14     1
Direct
  0.3592393063225911  0.5067951618551780  0.4885210150716394
  0.3575783593437227  0.5778434944585830  0.4022341618800807
  0.4351392931313546  0.4766882366968075  0.5196768626194201
  0.3294735905839237  0.4160453342102778  0.4459660312306183
  0.3025721026661369  0.5236356988410029  0.5667365541710926
  0.2940911893624264  0.5958605098636861  0.3586411937794393
  0.4924084511118510  0.5007731463077544  0.5700379622170872
  0.3687179682642286  0.3540173376113558  0.4068529945625441
  0.2865264875308000  0.5776459306450139  0.6408110802893140
  0.2904986898916189  0.5652550990419286  0.2916332449344570
  0.2501244238290798  0.5728854094332889  0.3978409987142928
  0.2905454690643458  0.6690974109206606  0.3496874546543873
  0.5115595749315899  0.4426255347419779  0.6085044890612303
  0.5329789499180120  0.5238145891693335  0.5253642253606197
  0.4792272820843971  0.5536647310726114  0.6167219160592429
  0.3340094392054120  0.3043435347737167  0.3806730842432740
  0.3999796364420439  0.3793444708011928  0.3514539963177837
  0.4026221769757173  0.3227119580892524  0.4556002041187961
  0.3318899764206905  0.5948039233150447  0.6775549891736825
  0.2609558069127919  0.6392753890224550  0.6191011538327559
  0.2521401456653911  0.5412272574820455  0.6864795546065040
  0.7472055500506389  0.6789367949105367  0.5336670009544289
  0.8226967493260927  0.6508677395349048  0.5044625172405186
  0.7798561809651245  0.6249659572013981  0.5340335649067995
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00