Fe  H  C  S  O                          
   1.00000000000000     
     6.8571973660000003    0.0004722570000000   -1.0336313920000000
    -3.4539202310000001   13.5991914939999994   -7.4225380640000003
     0.0516244120000000   -0.0032258030000000   15.8730265849999999
   Fe   H    C    S    O 
     6     6    24     6    12
Direct
  0.1096676092913853  0.3402352682759613  0.1135709754840519
  0.8903384476588201  0.6597626755527131  0.8864254883059033
  0.7695322044663229  0.2733700550608660  0.1596949560541816
  0.2304636213369733  0.7266278898618310  0.8403046220054762
  0.4961536444326384  0.3863903714490533  0.2265993320507320
  0.5038648235455554  0.6136061004047590  0.7733934716079318
  0.3490938141789925  0.9951681125700702  0.0516440589530305
  0.6508749696553053  0.0048283642770883  0.9483625216605986
  0.3538212067356810  0.5567839557980605  0.5049069104027382
  0.6461925998941638  0.4432264886659993  0.4950902335822605
  0.2029000747123320  0.5519406679617802  0.0566240155187003
  0.7971307873550089  0.4480631587438495  0.9433768144975403
  0.9571611361830890  0.0898002724510008  0.0102694805627266
  0.0427915488049635  0.9101962067989646  0.9897448728320697
  0.1324460891795525  0.5795991750685374  0.5898438665238857
  0.8675731325310636  0.4204134774922537  0.4101628526280692
  0.4469526011275562  0.4897648157504122  0.0795438865937541
  0.5530629582911075  0.5102257717580372  0.9204415660310517
  0.1579585281610179  0.0852575312354347  0.0397081275460494
  0.8420215261804316  0.9147499790768023  0.9603144264462671
  0.0728070241829499  0.4545537475515928  0.4147311216192477
  0.9272071434727849  0.5454633167263552  0.5852735514269369
  0.6181472865959350  0.4601946202641471  0.0454739064537293
  0.3818522243205891  0.5397989101281198  0.9545156572604867
  0.3367159472023857  0.1691142082047534  0.0854107320691782
  0.6632579233478637  0.8308778558784198  0.9145934862905278
  0.1677588150178622  0.4164157950297493  0.3308828872944432
  0.8322440261403301  0.5835902375776811  0.6691133695610958
  0.7512048542688845  0.4145375226542356  0.0836733595159203
  0.2488099669034085  0.5854604204076281  0.9163211546322074
  0.1943588208442506  0.9963283152793849  0.0283147149368261
  0.8055985999098141  0.0036688994481295  0.9717009207683347
  0.1979361012858050  0.5321457000126912  0.5036742450486642
  0.8020773266351000  0.4678551831096414  0.4963146232072191
  0.3341242764820649  0.5284810977833700  0.0320671298997084
  0.6658854049251204  0.4715124334589760  0.9679275064985191
  0.8762445162675476  0.1895659710290829  0.0086035560989686
  0.1237323048350092  0.8104319760535432  0.9914023454035643
  0.6868730245004215  0.3190326880551382  0.3103098054309186
  0.3131381655882137  0.6809755519946279  0.6896936973358407
  0.3676021034601362  0.4913255289916876  0.1809029613401449
  0.6324087265830158  0.5086731491181666  0.8190897466348090
  0.3114753833477693  0.2578946256777854  0.1164039762526414
  0.6885237599161798  0.7420981693021602  0.8835852196273066
  0.0537934901290882  0.3585084813838435  0.2420776824661957
  0.9462165942967786  0.6414916683264806  0.7579188151021796
  0.6951077570625515  0.3835888436607320  0.1414870679825100
  0.3049063175120494  0.6164135131276112  0.8585145014896511
  0.5112624631186193  0.1555048767245282  0.0967337759962632
  0.4887041148002496  0.8444871876487170  0.9032705976117441
  0.3559164683248071  0.4414213305845820  0.3444997104889467
  0.6441038499530265  0.5585847021342119  0.6554995745052992
  0.9144762921356175  0.4032370399661929  0.0587735222239516
  0.0855326623177461  0.5967579622784385  0.9412223847050143
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
