 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
    22     6     1     1
Direct
  0.0860198391493135  0.1736164720007746  0.4718972239756353
  0.1697029688973335  0.0895566384590807  0.4720899528392060
  0.0789189962430676  0.4156856379984575  0.4712640698045225
  0.0843908574756404  0.6695624721140223  0.4712643593351392
  0.1631918829167976  0.5842907365063981  0.4712694362816866
  0.0857108442714970  0.9198528023187207  0.4719002402858161
  0.1696982015941823  0.8372986680053549  0.4716421099417187
  0.3396523321997266  0.1720926230505617  0.4725163135864681
  0.4230338934342678  0.0871275259963650  0.4721653904327302
  0.3365516541435291  0.9186363247189381  0.4718071589578370
  0.4123804995526805  0.8263734261469420  0.4719109453696479
  0.5902635619334808  0.1731506609033815  0.4720265179367356
  0.6658800898340999  0.0801126400167273  0.4719153682051348
  0.5801240292158177  0.9104090008621692  0.4721056117671590
  0.6675160829225741  0.8278938248946527  0.4725205874787984
  0.8324192463267381  0.1626709350939887  0.4716450409303892
  0.9178931185674389  0.0813259251888059  0.4717988986117481
  0.8357760406678795  0.4156932089289710  0.4714242306889707
  0.9148404541893005  0.3303992080948023  0.4712626878498750
  0.9200484884502081  0.5842516949579791  0.4714226750681261
  0.8358555708990182  0.9128404672973623  0.4721592209904348
  0.9170489496909280  0.8267953236210362  0.4720161182640369
  0.3236981702441791  0.6635617969045348  0.4718537608330655
  0.1601860204666357  0.3364495200186108  0.4718398305716606
  0.5941032233867504  0.6721047442437649  0.4731825642094303
  0.4220136587725274  0.3278898386606843  0.4731836320799498
  0.6751840566072762  0.3372610856527714  0.4719677241795691
  0.8378984875547424  0.6626907013251069  0.4719589735034992
  0.3871353987843081  0.5000166721157799  0.4727140334389464
  0.6185115615883582  0.4999938355373862  0.4730197315276922
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
