log.class2a-none
756c87c7d907efficient_neuronet

log.class2a-none
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 0.040304848 0.040304848 183.537503
			1 0.22393239 0 0.036893575 0.040231075 175.827611
			--
			Step Temp E_pair E_mol TotEng Press
			0 0.22393239 0 0.036893575 0.040231075 175.827611
			1 0.81991975 0 0.027814603 0.040034728 153.287062
			--
			Step Temp E_pair E_mol TotEng Press
			1 0.22393239 0 0.036893575 0.040231075 175.827611
			2 0.81991975 0 0.027814603 0.040034728 153.287062