 C  N Fe Ni  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Fe   Ni   O    H 
    22     6     1     1     1     1
Direct
  0.0757864188908140  0.1599595253868114  0.4658847833515563
  0.0809659881380928  0.4157752301809705  0.4634501391091310
  0.1624364544268203  0.3322533627979225  0.4653041190567161
  0.0874506877922961  0.6728022644402050  0.4654174472126287
  0.1644568616222947  0.5841982330893314  0.4647495905974494
  0.0823474254005449  0.9214250314280245  0.4685266137050583
  0.1730652352818593  0.8436823672479451  0.4675015205593737
  0.3284948309450575  0.6672432436036195  0.4656043489795080
  0.4055385018228062  0.5783990720181543  0.4674852506126863
  0.3418937230201478  0.9286414095659895  0.4663885857765318
  0.4157623345130793  0.8353547674559543  0.4651456016163829
  0.5907888522020289  0.1688047290707185  0.4633106274657309
  0.6685401465768583  0.0796830967442697  0.4623893470723243
  0.5810789847343708  0.9112427557607018  0.4643866685044544
  0.6551222979988602  0.8176736750798518  0.4661409894196397
  0.8325228291922361  0.1615331973720743  0.4620420870636804
  0.9094979762824651  0.0729431563727215  0.4636097742213894
  0.8347865378729512  0.4134986373698088  0.4630954885390454
  0.9158669389814998  0.3297319635276846  0.4623359552408090
  0.9214500972026706  0.5848799884371673  0.4642149036571314
  0.8235078934703500  0.9019874766947107  0.4653663527970463
  0.9126333026164584  0.8226794665628436  0.4659767229048827
  0.5651288454739508  0.6532172220921457  0.4686867700266241
  0.3244517816544269  0.4156358461069118  0.4686491460893084
  0.1561074083151760  0.0814645656738466  0.4711175403260648
  0.8389304742403010  0.6619318323534427  0.4644002674120604
  0.6725007946387422  0.3331573183379796  0.4634715934895078
  0.4319262164324050  0.0922781137025075  0.4667590907719192
  0.3821127425974016  0.2572087607490208  0.5074834390411617
  0.6223661103212932  0.4982304657051410  0.4691524956053073
  0.3978763384723286  0.2577902653749271  0.6239773765201992
  0.4408596391946621  0.3559507806508945  0.6552179321063882
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
