log.none-fourier-simple-a
756c87c7d907efficient_neuronet

log.none-fourier-simple-a
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 4.4444199 4.4444199 0.000000
			1 9.4059428 0 4.3032171 4.4434037 6.408251
			--
			Step Temp E_pair E_mol TotEng Press
			0 9.4059428 0 4.3032171 4.4434037 6.408251
			1 36.53676 0 3.8958454 4.4403911 24.892424
			--
			Step Temp E_pair E_mol TotEng Press
			1 9.4059428 0 4.3032171 4.4434037 6.408251
			2 36.53676 0 3.8958454 4.4403911 24.892424