MD JobServer / TaskServer

No title                                
   1.00000000000000     
    20.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   15.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   15.0000000000000000
   N    H    C    Si   O 
     1    22     7     2     4
Direct
  0.8117994099999990  0.3911686200000020  0.5897641999999976
  0.8286306800000034  0.4211153800000034  0.6480301200000014
  0.8513871700000024  0.4020344899999984  0.5461189800000028
  0.1425965700000020  0.5201114500000017  0.3637212200000022
  0.1947384099999994  0.6169592199999983  0.3722425500000028
  0.2140217600000014  0.5319842199999982  0.2930639599999978
  0.1011220800000032  0.5563994700000023  0.6569723599999975
  0.1429355000000001  0.6447551400000009  0.5998841199999987
  0.0974136500000000  0.5623191500000004  0.5381226800000007
  0.4120315500000018  0.4383922000000027  0.2939299599999998
  0.4091908199999992  0.3475116999999983  0.3710898699999987
  0.3370720699999978  0.4171249799999970  0.3558923300000032
  0.5165149199999988  0.2730833800000028  0.5729327199999972
  0.5241751699999995  0.3501609599999966  0.4825710300000026
  0.5419379900000010  0.3854982599999985  0.5942534300000020
  0.2390705400000002  0.6956489700000006  0.5050434600000031
  0.2949025799999987  0.6711580899999987  0.5934467900000016
  0.3218200399999986  0.6605201699999981  0.4807729300000005
  0.4329692100000031  0.6209253800000027  0.5590060299999990
  0.4413808899999978  0.5584418600000021  0.6592606399999994
  0.5043861199999995  0.5530267800000033  0.5758148099999971
  0.3150030199999989  0.4509942600000016  0.6413512800000021
  0.2993394399999971  0.3824306300000018  0.5483467000000033
  0.3164530399999990  0.4496408799999969  0.5677962299999990
  0.1946736700000002  0.5442442299999968  0.3606875799999969
  0.1298662600000000  0.5732677100000032  0.5967158699999970
  0.3921894699999982  0.4163714999999968  0.3586407600000001
  0.5089901899999987  0.3426757499999979  0.5528698000000034
  0.2793180500000005  0.6502547500000020  0.5262219600000009
  0.4501334500000027  0.5572001000000029  0.5869017300000010
  0.4062172499999974  0.4606286699999984  0.5342265800000021
  0.2528593899999976  0.5301571199999984  0.5263633699999986
  0.2354015800000013  0.4975750700000034  0.4228953900000008
  0.1875131500000009  0.5178740099999999  0.5940009700000033
  0.4161331199999978  0.4764021100000022  0.4252861100000018
  0.4400678499999984  0.3642703000000012  0.5656710800000013
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00