 C  N Fe Ir                             
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Fe   Ir
    22     6     1     1
Direct
  0.0762006893784455  0.1627455463292966  0.4683811567823533
  0.0830776947589599  0.4191422175095751  0.4673512278528368
  0.1615967793954133  0.3341160703423388  0.4684060058196982
  0.0903356054348183  0.6766350090401548  0.4677166499077284
  0.1655037542475182  0.5872257338445653  0.4676338680563860
  0.0845739933326115  0.9249591622245134  0.4686545708342696
  0.1757272829720254  0.8478259992696372  0.4684634335727384
  0.3286799175086995  0.6712346825469331  0.4685253476671794
  0.4027833477696928  0.5818127673579263  0.4694875629889038
  0.3441645797067719  0.9325945824078560  0.4687656767893305
  0.4175137297841907  0.8392815434932657  0.4686723711892805
  0.5963119335069178  0.1704264947210948  0.4685056964967177
  0.6716303483444428  0.0813301440733079  0.4680580580082401
  0.5826885128501581  0.9139843031523005  0.4686600485879978
  0.6562805212572215  0.8214294099849262  0.4690387365380424
  0.8352449763927314  0.1634642804065941  0.4674825822004264
  0.9110529791751714  0.0743323547116154  0.4679538122253844
  0.8414702557123945  0.4160870490213804  0.4675977846596331
  0.9194963050146012  0.3312450742233103  0.4671108823035948
  0.9261378898227439  0.5874317473616215  0.4678240519662173
  0.8248918958826399  0.9035449749072332  0.4685831208732202
  0.9156724419602953  0.8258269262613166  0.4685822197838954
  0.5624879103107154  0.6579243590845727  0.4699157301872616
  0.3228074543651885  0.4179750632711127  0.4698891051318718
  0.1583252065290757  0.0853925238501617  0.4690643745724623
  0.8440705628074020  0.6649326554058479  0.4686171764357694
  0.6804257167876393  0.3329779013994150  0.4685169732292114
  0.4362715248726354  0.0969632189237103  0.4692775438109014
  0.3857912617222731  0.2615275914443284  0.4708984639288409
  0.6140156960492950  0.4920272046301138  0.4698737548199965
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
