 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 
    22     6     1     1     1     1
Direct
  0.0872420215553951  0.1719884099303293  0.4688207698158413
  0.1714707026748868  0.0889345211141456  0.4698002346478179
  0.0827320550806845  0.4136950269511444  0.4655924741641790
  0.0881018003067200  0.6686754340416597  0.4672063031198987
  0.1674569738672182  0.5831683315154896  0.4654644600418493
  0.0893504132598262  0.9206751609858593  0.4706169026811257
  0.1719013804846714  0.8364549821790697  0.4692952598233529
  0.3417125751985555  0.1785863160913167  0.4730371362364730
  0.4243667311481409  0.0885232515273814  0.4738075459265842
  0.3389390259298160  0.9198498416257601  0.4704012045850564
  0.4136813424507725  0.8248115258544783  0.4686147277445648
  0.5925713018498395  0.1700407420241709  0.4741456035221977
  0.6670949724168895  0.0761274433157817  0.4707173387463838
  0.5809996647957997  0.9077711350632636  0.4700264088923204
  0.6615703729998915  0.8181942404915152  0.4741620253834966
  0.8338538838117994  0.1603838267960407  0.4696395065246972
  0.9175024986749919  0.0770489330974740  0.4709234752617449
  0.8361553718327146  0.4120691733182764  0.4712436657935362
  0.9178825064681538  0.3282090175017775  0.4673808328565834
  0.9225612272897405  0.5847879645078684  0.4713056634165284
  0.8342133607835940  0.9082846845780370  0.4745998705764510
  0.9209999316309589  0.8267842704228283  0.4746008476193224
  0.3277839216305448  0.6620676239093105  0.4660278828809914
  0.1641203995069066  0.3347417085486510  0.4662380844590751
  0.5851537804946135  0.6628808801723736  0.4774292580365216
  0.4204854738554132  0.3336164954733534  0.4750116330129344
  0.6787856800346364  0.3302734275477731  0.4774578606390668
  0.8471310341021893  0.6666514037394795  0.4780973503682076
  0.3772763266343732  0.4982683386361217  0.4692228135768290
  0.6137013698672080  0.4976362439917150  0.5274192166556249
  0.6352734925188910  0.4802558579779576  0.6430062132055154
  0.6509674305820351  0.5622019267414563  0.6830644265902781
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
