log.none-harmonic
756c87c7d907lammm-master-deprecated

log.none-harmonic
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 20.786113 20.786113 0.000000
			1 228.5939 0 17.215876 20.622851 155.740582
			--
			Step Temp E_pair E_mol TotEng Press
			0 228.5939 0 17.215876 20.622851 155.740582
			1 755.44844 0 8.9924615 20.251703 514.685564
			--
			Step Temp E_pair E_mol TotEng Press
			1 228.5939 0 17.215876 20.622851 155.740582
			2 755.44844 0 8.9924615 20.251703 514.685564