 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
    21     7     1     1
Direct
  0.0852265499641657  0.1669071883395598  0.4649237807056816
  0.1650302749823004  0.0793976734197684  0.4675881777812792
  0.0789709235649626  0.4114429328839984  0.4683493796991530
  0.1672780763415481  0.3289531745345276  0.4683153547356524
  0.0749710346794008  0.6530834723984112  0.4732214970968061
  0.0776420327669745  0.9111163568715991  0.4698821499622787
  0.1614373540507243  0.8235293106922013  0.4723030268708444
  0.3315281647422326  0.1650073262451477  0.4683403791101742
  0.4145838820326957  0.0818207030184002  0.4678391791908540
  0.4162325217217491  0.3346095926839732  0.4706781956350799
  0.3346496751591566  0.9141880853163709  0.4708906787767336
  0.5815120170544041  0.1701174274107228  0.4651074143079595
  0.6701199128450082  0.0935880420164613  0.4621506725892912
  0.6608845437769950  0.3335292358256686  0.4676172993256427
  0.5903537578445957  0.9337159428102940  0.4673141133687272
  0.6780740004485322  0.8540925902905784  0.4691583629881419
  0.8348577842636873  0.1706764203091453  0.4600741523174259
  0.9211880836342523  0.0916901618533058  0.4615307592611195
  0.8303358514447740  0.4143938322759535  0.4677214296631613
  0.9146282771618216  0.3322600593246112  0.4637210515138900
  0.8422133910220957  0.9308603819960944  0.4659469296168769
  0.3301963765408792  0.4106052998075342  0.4733146175442104
  0.5805138787474080  0.4159965858609110  0.4716660843393268
  0.1559671330590937  0.5709218844469908  0.4737754231963134
  0.9122530448250061  0.5736001318533154  0.4726743027499153
  0.4295670209534511  0.8479517106147930  0.4731060973855153
  0.6013901125963441  0.6973016567917707  0.4758702510489066
  0.9144608942801754  0.8416513520357355  0.4704563650005714
  0.3820481091904477  0.6306484190617659  0.4775694362682198
  0.7476497136782481  0.6315739242129856  0.4755707542441159
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
