#     Step Nr.          Time[fs]        Kin.[a.u.]          Temp[K]            Pot.[a.u.]        Cons Qty[a.u.]        UsedTime[s]
         0            0.000000         0.273612846       300.000000000     -1102.629448594     -1102.355835748         0.000000000
         1            0.500000         0.279633819       306.601634956     -1102.634728486     -1102.356032711        70.082937483
         2            1.000000         0.278176228       305.003473822     -1102.643688340     -1102.356285321        11.608515253
         3            1.500000         0.280393422       307.434493169     -1102.653080703     -1102.356547289        11.607597935
         4            2.000000         0.282889483       310.171274373     -1102.655862600     -1102.356593452        11.617385623
         5            2.500000         0.294372846       322.762089451     -1102.653391721     -1102.356505399        11.665471402