MD JobServer / TaskServer

 MoS2_001_241_opt_12EF                  
   1.00000000000000     
    10.9551999999999996    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.6500000000000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000   19.1616999999999997
   S    Mo
    32    16
Direct
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