 C  N Ir Fe                             
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Ir   Fe
    20     8     1     1
Direct
  0.0765184751596945  0.1597588625834222  0.4685799633775124
  0.1621113552873503  0.0755882298555264  0.4691347200017276
  0.0735388724921446  0.4095653705281717  0.4696053892395408
  0.1576135966410201  0.3211849577923646  0.4695205866181431
  0.0885899147838453  0.6602390218897555  0.4701987639536397
  0.0887432998259882  0.9116654816143215  0.4692641533322751
  0.1736721282707027  0.8267406675754350  0.4700141259373571
  0.3245522547224445  0.1585658048266413  0.4697526366560550
  0.4132434891793522  0.0767026048749129  0.4697706648220304
  0.3401749907051592  0.9118248301205960  0.4702207814893440
  0.6625212798594186  0.0911506926776110  0.4688297728655525
  0.5908461890135558  0.9268742436169205  0.4696460496099050
  0.6792249306952035  0.8427973012092296  0.4695545039247874
  0.8278393870815792  0.1725697698209120  0.4681360675475622
  0.9131502551301590  0.0872611590802897  0.4680188103686005
  0.9092650213127148  0.3378937772689792  0.4688022780295139
  0.8418453458986886  0.6758592557595434  0.4697516310010534
  0.9237115936106283  0.5871708784041789  0.4697500953450806
  0.8406458528657342  0.9238882205029444  0.4685983235046070
  0.9248204971510230  0.8382975516709479  0.4691389018819681
  0.4314401873749275  0.8394695754240904  0.4707399248719278
  0.1609433891648009  0.5689710370476694  0.4707087772457155
  0.6014968757415209  0.6811637416764271  0.4706474911043255
  0.3192460529345135  0.3989112318000697  0.4706265946512971
  0.6809158196481589  0.5969138955528839  0.4702595298771755
  0.4034954724615062  0.3194932892410461  0.4702493255412244
  0.8340122399882269  0.4271940619041996  0.4693630209144392
  0.5732209515716176  0.1664045937096665  0.4693837131168532
  0.3808459171848163  0.6195647396725918  0.4714028494066264
  0.6204430754984795  0.3799732919705391  0.4697874227736982
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
