Step Temp E_pair E_mol TotEng Press 
       0            0            0    13.333352    13.333352        0.000000 
       1    5.3608758            0    13.253402      13.3333        3.652354 
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Step Temp E_pair E_mol TotEng Press 
       0    5.3608758            0    13.253402      13.3333        3.652354 
       1    21.387062            0    13.014383    13.333137       14.570964 
--
Step Temp E_pair E_mol TotEng Press 
       1    5.3608758            0    13.253402      13.3333        3.652354 
       2    21.387062            0    13.014383    13.333137       14.570964