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    23     7     2     4
Direct
  0.4113212700000020  0.6234165799999971  0.5074967099999981
  0.3248278599999992  0.7063645799999989  0.4281469599999994
  0.3838758899999988  0.6681127200000034  0.5416336999999984
  0.4372400000000027  0.6535852599999998  0.4585262000000014
  0.4471112499999990  0.5279750099999987  0.7422229599999994
  0.4302387500000009  0.6215062899999992  0.6716674700000027
  0.3656700499999985  0.5773635500000012  0.7422400700000011
  0.5813254799999967  0.4685761400000032  0.4954836200000017
  0.5436865400000030  0.5767802499999988  0.5058729799999995
  0.5450938600000015  0.5022860199999997  0.5990197400000028
  0.1877388500000023  0.5392555199999975  0.6533339599999977
  0.1854901900000030  0.4240295900000035  0.6229746400000025
  0.2631961100000026  0.4748960900000014  0.6535102799999990
  0.1334409700000023  0.2768726500000014  0.4092607899999976
  0.1137419300000033  0.3748693499999973  0.4714863600000001
  0.1371108499999991  0.3834120599999977  0.3568106000000029
  0.3092408099999986  0.7960903199999976  0.5079916700000027
  0.2809079000000025  0.8031817099999969  0.3979092699999995
  0.2497631000000027  0.7193328600000015  0.4685192199999975
  0.2064324999999982  0.5521445099999980  0.3420926800000004
  0.2946895999999981  0.5564939100000004  0.3381882300000001
  0.2523765800000035  0.4670029199999988  0.2871168799999992
  0.3696211999999974  0.3903560500000012  0.4177007300000000
  0.3475890200000009  0.3691810999999987  0.5271687899999975
  0.3470017200000015  0.4220780099999999  0.4763566299999979
  0.4088537499999987  0.5600811099999987  0.7002021200000001
  0.5401394800000006  0.5063189099999974  0.5258856000000023
  0.2152507600000035  0.4858641699999993  0.6188752899999983
  0.1470940700000014  0.3473257899999993  0.4196088400000022
  0.2917207200000007  0.7571897300000003  0.4508380999999986
  0.2518136999999996  0.5116916899999993  0.3447762200000000
  0.2582501199999996  0.4481380300000026  0.4508661899999993
  0.4050541200000026  0.5063825800000004  0.5252959199999978
  0.3870427000000021  0.5008661999999973  0.6325471600000014
  0.4792411000000030  0.4685680600000026  0.4955030400000027
  0.2251570999999970  0.5130028499999995  0.5285076199999992
  0.2159978999999979  0.3524369499999978  0.4448246299999994
 
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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