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
  0.3251115600000034  0.4379976099999965  0.4859436799999983
  0.3312957500000024  0.4561903800000024  0.5523596199999972
  0.3641760499999975  0.3961948199999981  0.4697562200000007
  0.2779272000000006  0.7051327300000025  0.6831569300000027
  0.2301575299999996  0.6035868100000030  0.6772423099999969
  0.3097951100000031  0.6047847999999973  0.7314049399999973
  0.3362246700000000  0.8325405499999974  0.3982678500000034
  0.2559665699999982  0.8095188100000001  0.4455732500000025
  0.3284409400000001  0.8171407999999971  0.5160446200000024
  0.1157256700000033  0.4371172600000008  0.5966562400000015
  0.1440257200000019  0.3248027200000010  0.6075535900000020
  0.1640865800000029  0.4053884400000030  0.6916405400000016
  0.3405361399999975  0.1589851999999965  0.5552146100000002
  0.2548131799999993  0.1656011199999980  0.5179981300000023
  0.3211259500000025  0.1421485500000017  0.4396653800000010
  0.1764961700000001  0.6904937899999979  0.5217063600000031
  0.1761829800000001  0.6325744800000024  0.4180385599999994
  0.1706048599999974  0.5717398600000010  0.5200345499999983
  0.1870525799999996  0.4422933800000024  0.3757297599999987
  0.2520001800000031  0.3805288100000013  0.3219757700000017
  0.1766166700000014  0.3275243599999982  0.3537584400000000
  0.3018688399999974  0.5068916500000000  0.3673559200000014
  0.3776164399999971  0.5409276000000034  0.4177284399999976
  0.3256557200000003  0.5204698399999970  0.4318343699999971
  0.2809580300000007  0.6321144300000014  0.6752141099999989
  0.3099388700000034  0.7948400000000007  0.4504209999999986
  0.1575399899999965  0.3950249099999965  0.6193882199999976
  0.3075003599999988  0.1808544900000015  0.5001652699999966
  0.1938205100000019  0.6297040800000033  0.4874806400000011
  0.2133178300000012  0.3778748200000024  0.3746166099999968
  0.2487061499999967  0.3490297499999997  0.4896352399999984
  0.2868415299999967  0.6190502500000008  0.4906158399999967
  0.3147392600000032  0.6089636800000022  0.5945437800000022
  0.3233194800000021  0.7023600500000029  0.4371003199999990
  0.2177680899999999  0.4168546800000001  0.5729046800000006
  0.3155425599999973  0.2747448800000001  0.4851149599999971
 
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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
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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