log.none-fourier-b
756c87c7d907efficient_neuronet

log.none-fourier-b
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 13.333407 13.333407 0.000000
			1 85.431394 0 12.056729 13.330002 58.204244
			--
			Step Temp E_pair E_mol TotEng Press
			0 85.431394 0 12.056729 13.330002 58.204244
			1 337.7363 0 8.2838613 13.3175 230.099087
			--
			Step Temp E_pair E_mol TotEng Press
			1 85.431394 0 12.056729 13.330002 58.204244
			2 337.7363 0 8.2838613 13.3175 230.099087