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
  0.6603100100000034  0.4736974400000022  0.5960517400000001
  0.6816052599999978  0.4731652400000002  0.6569864300000035
  0.6979919199999998  0.4683619300000004  0.5504187200000032
  0.1541317599999985  0.5161481600000002  0.3680980199999979
  0.2115692599999974  0.6077419000000006  0.3663705199999967
  0.2233810600000012  0.5155203799999981  0.2930438100000003
  0.1137135999999970  0.5460907100000014  0.6576082500000027
  0.1526670599999989  0.6348379499999979  0.5975556799999993
  0.1097022399999972  0.5479612600000010  0.5386824500000031
  0.4224667299999965  0.4272560900000002  0.2947092200000014
  0.4224733499999971  0.3375272299999992  0.3732084700000016
  0.3492563699999991  0.4060359099999999  0.3602553500000027
  0.5316559700000028  0.2685710700000001  0.5731736199999986
  0.5351984200000004  0.3516449700000024  0.4781052100000025
  0.6000806200000000  0.4254012199999977  0.5909608300000002
  0.2502191399999987  0.6878622300000004  0.5043573399999985
  0.3083758599999982  0.6648678500000003  0.5904688600000014
  0.3326191900000026  0.6536501599999980  0.4768146799999968
  0.4437910999999986  0.6173710500000027  0.5584565400000017
  0.4536988899999983  0.5548303599999969  0.6584693200000018
  0.5166730799999968  0.5507298100000000  0.5748665899999992
  0.3279956700000000  0.4435470000000024  0.6411666199999999
  0.3132863800000010  0.3759788799999981  0.5470267600000014
  0.3298084899999978  0.4431341499999988  0.5676248400000006
  0.2071488799999983  0.5346980699999975  0.3603948000000017
  0.1417813899999985  0.5626668399999986  0.5967495800000009
  0.4043693599999969  0.4058722999999986  0.3605381599999973
  0.5160776700000014  0.3311868099999984  0.5431580500000024
  0.2913181699999967  0.6432302199999995  0.5241466599999995
  0.4622956500000015  0.5540789699999991  0.5859866400000016
  0.4190908899999997  0.4574675400000032  0.5340697500000005
  0.2654526600000011  0.5229804900000019  0.5264506099999977
  0.2476191700000001  0.4889374500000017  0.4235909800000002
  0.2011706600000025  0.5105686200000008  0.5956125200000031
  0.4299009799999993  0.4671865500000010  0.4251909199999986
  0.4553591100000034  0.3615201300000024  0.5695410800000005
 
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00