 C  N Pd Fe                             
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Pd   Fe
    22     6     1     1
Direct
  0.0848734096929617  0.1724142788854157  0.4717427698192584
  0.1698336254455786  0.0895391533824407  0.4721058513139185
  0.0795998989586914  0.4153048937627536  0.4709774697691427
  0.0845301511382671  0.6695308315546838  0.4712103219194212
  0.1642666874607093  0.5846855693008282  0.4709762260535430
  0.0858274198568677  0.9198607339364938  0.4719437896490374
  0.1698505239390641  0.8373879282106265  0.4716722631637335
  0.3401637671153100  0.1742827547316469  0.4726410251571073
  0.4233112546450094  0.0883033634716221  0.4722935979643596
  0.3366887845707219  0.9200813767107149  0.4718669492764421
  0.4124149848838178  0.8275584606668932  0.4717521814619021
  0.5906091019258191  0.1737296936242072  0.4721187047939998
  0.6659636898570297  0.0800974903626308  0.4719485865420893
  0.5802733639490660  0.9104537817658461  0.4721100157120423
  0.6658584962398612  0.8257348138796723  0.4726446603799619
  0.8324810868845519  0.1625773323786364  0.4716704614087616
  0.9166358374279429  0.0799028983222155  0.4718577782656078
  0.8361610781480427  0.4158426176310282  0.4714480648123361
  0.9150075356325527  0.3304274912280131  0.4712102697365018
  0.9202419730165206  0.5840907140462682  0.4714452092451553
  0.8349683782440009  0.9116455935682453  0.4722826832852573
  0.9168112132380467  0.8262086247050230  0.4720995725205067
  0.3243551913470182  0.6667847991300093  0.4713647551671505
  0.1575855221085365  0.3332277084927562  0.4713586232771108
  0.5971436789549404  0.6701670158342844  0.4735202974880586
  0.4270013188211306  0.3298502865135137  0.4735067182073673
  0.6758362229837583  0.3377848844329225  0.4721355959516398
  0.8379656845229558  0.6621377907002628  0.4721190380452643
  0.3821000718004756  0.4999884815229744  0.4725775256057517
  0.6172882271710466  0.5000030488815033  0.4731434029531985
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
