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			Step Temp E_pair E_mol TotEng Press
			0 0 0 234.89467 234.89467 -45671.987
			1 6835.291 0 156.86937 258.7429 -10578.155
			--
			Step Temp E_pair E_mol TotEng Press
			0 6835.291 0 156.86937 258.7429 -10578.155
			1 1870.0055 0 188.84328 216.71394 34390.253
			--
			Step Temp E_pair E_mol TotEng Press
			1 6835.291 0 156.86937 258.7429 -10578.155
			2 1870.0055 0 188.84328 216.71394 34390.253