case,unique_dump_frames,raw_dump_records,first_energy_step,last_energy_step,last_frame_time_fs,Tmin_K,Tmax_K,max_totalenergychange_eV_atom,max_kinetic_relative_error
nve40,40,40,0,39,19.5,281.73311,304.88394,1.0629451558941128e-06,1.3436386705759265e-06
nve80,80,80,0,79,39.5,234.93035,304.88394,1.0629451558941128e-06,1.3440545763477474e-06
nvt80,80,80,0,79,39.5,255.14283,304.61299,0.003906323449219151,1.3475900269070245e-06
nve-restart80,80,85,0,79,39.5,234.93034,304.88394,1.0629451558941128e-06,1.3502254845172471e-06