 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 
    20     8     1     1     1     1
Direct
  0.0792473388970919  0.1594826939271733  0.4690927119181204
  0.1634483142662590  0.0751114622678912  0.4660212713852723
  0.0802499060934693  0.4111729328788702  0.4708727300868401
  0.1624829118801698  0.3235931229079427  0.4708040041503173
  0.0926199260730112  0.6593288771631929  0.4664878290747708
  0.0891295612759182  0.9108160958392457  0.4646602892115775
  0.1746688215009542  0.8253116081157423  0.4648140535955009
  0.3276332284852423  0.1590006060106870  0.4674454092607510
  0.4155263456794183  0.0748172837889616  0.4680415164645979
  0.3406621791012483  0.9073844575997533  0.4663759925670881
  0.6629678883292887  0.0862919252486399  0.4732372703479517
  0.5888026158822411  0.9196990902517480  0.4710768420079653
  0.6763416451195872  0.8374119402439462  0.4712548392341643
  0.8296156952094914  0.1703445157313393  0.4734488565988160
  0.9148276674043851  0.0850897475799625  0.4707361668352733
  0.9136652127430873  0.3370071091598124  0.4731338245196727
  0.8410224802291975  0.6723102265647647  0.4679332367742182
  0.9252103565793778  0.5844559912069047  0.4682622957464656
  0.8404363340909569  0.9206655995300387  0.4693810971475678
  0.9248268152287612  0.8364660119457084  0.4663341486120015
  0.4286367698016395  0.8318897537547992  0.4686373404157657
  0.1680790303678690  0.5713381157890008  0.4687279238876153
  0.5985208203213870  0.6764656270558942  0.4730295943912752
  0.3234295565651722  0.4013834970754666  0.4722557799291370
  0.6794366751986454  0.5953298174525159  0.4729526265232106
  0.4044968699312041  0.3205588901511048  0.4722012535619319
  0.8392723463501421  0.4253968076627567  0.4738469411021494
  0.5745884974654470  0.1607447789963674  0.4737822435718657
  0.3816323610039236  0.6183162064297563  0.4700337392294169
  0.6218883319123050  0.3779579049159489  0.5055421210494446
  0.6227721040251758  0.3759606016908580  0.6228172000576669
  0.5777858275492009  0.4310188241987870  0.6525096494635834
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
