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
  0.7109875900000020  0.4460885800000014  0.5927018000000004
  0.7340415299999989  0.4540054400000031  0.6542493899999968
  0.7516598500000029  0.4438215899999989  0.5495597600000011
  0.1503553499999981  0.5172419100000027  0.3672204200000024
  0.2060421300000002  0.6107156099999997  0.3687180599999991
  0.2200898899999970  0.5209374200000028  0.2932187799999966
  0.1099573899999982  0.5493467100000018  0.6573218500000024
  0.1497108499999982  0.6379304200000036  0.5983387699999980
  0.1057061300000015  0.5527693800000009  0.5387140400000021
  0.4189993299999983  0.4314267099999967  0.2947127400000014
  0.4178304900000001  0.3413711899999967  0.3732067600000022
  0.3450306499999982  0.4103381500000012  0.3591485099999971
  0.5315056600000005  0.2769610699999987  0.5734965700000032
  0.5325876799999989  0.3491468699999984  0.4786975199999972
  0.5552591000000007  0.3908501200000032  0.5857539799999998
  0.2463219400000014  0.6900032699999983  0.5045734500000023
  0.3037903000000028  0.6670659400000005  0.5912922300000005
  0.3289144600000000  0.6562717500000019  0.4780456399999977
  0.4396979099999996  0.6202952299999964  0.5584194699999969
  0.4495952099999982  0.5578415000000021  0.6588813899999977
  0.5124970700000020  0.5539915399999984  0.5747823999999966
  0.3241166399999997  0.4457657800000021  0.6416273700000019
  0.3095294299999978  0.3778618899999984  0.5475014700000003
  0.3259595000000033  0.4453494799999973  0.5679008800000034
  0.2030163900000019  0.5377248200000011  0.3607713500000003
  0.1380541199999996  0.5660506700000028  0.5966939300000007
  0.4003227899999970  0.4102390400000004  0.3604813600000014
  0.5213654900000009  0.3450329100000005  0.5502081899999993
  0.2873378299999985  0.6455720000000014  0.5247489200000004
  0.4580438999999998  0.5568549300000001  0.5861699399999978
  0.4159908500000000  0.4583121800000001  0.5348723999999976
  0.2616367199999985  0.5253166399999998  0.5263862300000000
  0.2438134800000000  0.4914271700000015  0.4232428700000028
  0.1967287499999983  0.5125570200000027  0.5947043199999982
  0.4248923099999971  0.4714195199999978  0.4254048900000029
  0.4528673399999974  0.3644225500000005  0.5681419100000014
 
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  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