 C  N Ni Fe  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Ni   Fe   O    H 
    21     7     1     1     1     1
Direct
  0.0860184119847819  0.1692860309517845  0.4653901135380046
  0.1647361965559984  0.0806749560218893  0.4679012098599289
  0.0828549289681669  0.4147124787436140  0.4678886160773787
  0.1702670373121725  0.3335324016640554  0.4680775914025569
  0.0782561467490439  0.6533099133674722  0.4736137583382229
  0.0762245051041397  0.9115588179238711  0.4708787434270309
  0.1616038254429592  0.8247316646436227  0.4730021217447510
  0.3316021634648629  0.1657406911754865  0.4682596260760558
  0.4142666317821170  0.0814155340873623  0.4677282222939269
  0.4171860401155306  0.3379101790917661  0.4702191325269193
  0.3332268854364289  0.9117974149756751  0.4704797525602429
  0.5817300844410334  0.1697422955893146  0.4645392963523275
  0.6686098209508071  0.0915818232546881  0.4617061571429795
  0.6619869351455958  0.3337298566599082  0.4666446261522139
  0.5861281887368677  0.9293619104669506  0.4653989737241424
  0.6735599561011791  0.8506076582408051  0.4685762219511531
  0.8345106339761950  0.1706271259548017  0.4605726475931325
  0.9212309727268408  0.0919361321468734  0.4619161529918727
  0.8324183277529722  0.4154622877609523  0.4672210357168417
  0.9165463350234817  0.3331902414903880  0.4637448871468604
  0.8408307124632479  0.9299734526450307  0.4654816919160480
  0.3336030226796102  0.4172960930006829  0.4717785204145645
  0.5800990145269861  0.4156153100380352  0.4714746666013016
  0.1625531887737252  0.5750528079799345  0.4722007751137491
  0.9167388282217606  0.5743327197883797  0.4737818751032019
  0.4254850847952739  0.8407626176606190  0.4705852182124501
  0.5956607264140358  0.6947517360909827  0.4794252014383024
  0.9127947240906358  0.8417147474645017  0.4714944627828078
  0.3819527436149367  0.6309081020027424  0.4753051166807921
  0.7373010331981944  0.6286829788523168  0.5027778288479265
  0.7475854432323691  0.6219506126567492  0.6195421048309622
  0.6701476848665310  0.6375548224668549  0.6498591419895070
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
