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
  0.3241122200000035  0.4392500499999983  0.4885981400000006
  0.3282756699999965  0.4618651899999975  0.5546080100000026
  0.3641633399999975  0.3979787000000030  0.4757824300000024
  0.2771817400000032  0.7074870000000004  0.6786506299999999
  0.2330632500000007  0.6027219899999992  0.6790547200000034
  0.3137924899999973  0.6114763900000000  0.7298019799999977
  0.3393530900000030  0.8315322899999984  0.3967930900000027
  0.2598658200000017  0.8120856000000032  0.4479509499999992
  0.3346594100000004  0.8140269700000005  0.5146027300000000
  0.1137488299999987  0.4344323400000007  0.5910475900000023
  0.1403696499999967  0.3221608300000014  0.6011739400000025
  0.1545792699999993  0.3986090799999999  0.6897764200000012
  0.3397910999999993  0.1687839499999981  0.5595450699999986
  0.2606180200000026  0.1589995699999989  0.5040867000000020
  0.3375977700000021  0.1377509399999965  0.4442534200000026
  0.1781077400000015  0.6926044300000029  0.5212081999999967
  0.1749103100000013  0.6316928199999978  0.4192472200000026
  0.1708661199999995  0.5739087500000011  0.5232059900000010
  0.1832800700000021  0.4454854700000013  0.3857186700000028
  0.2426360500000015  0.3812700599999985  0.3254267399999975
  0.1685089200000007  0.3321446699999981  0.3645089600000020
  0.3007826099999988  0.5014189199999990  0.3682105999999976
  0.3766413000000028  0.5394836999999981  0.4159826699999982
  0.3248806900000005  0.5191197099999982  0.4312397300000015
  0.2826806899999994  0.6344404000000026  0.6737387299999966
  0.3134261599999988  0.7943481800000001  0.4496185499999967
  0.1534667299999981  0.3912193000000030  0.6168991400000010
  0.3132717299999968  0.1806958900000026  0.4957288700000007
  0.1938692200000034  0.6304937999999964  0.4880523799999992
  0.2076653499999992  0.3802795900000007  0.3820777099999972
  0.2490768500000016  0.3474938199999968  0.4922237700000025
  0.2868471299999982  0.6191055099999971  0.4887062299999982
  0.3154677899999996  0.6097948199999976  0.5926205499999995
  0.3233996200000036  0.7014507900000027  0.4338822100000002
  0.2166260999999992  0.4131327200000001  0.5779838099999992
  0.3159127899999987  0.2732460900000007  0.4718342099999973
 
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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