log.fene-expand-b-none
4d43e30b42e8efficient_neuronet

log.fene-expand-b-none
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 163.15198 163.15198 -18747.207
			1 1524.2166 0 134.84564 157.56264 -9362.8578
			--
			Step Temp E_pair E_mol TotEng Press
			0 1524.2166 0 134.84564 157.56264 -9362.8578
			1 1612.8024 0 126.06614 150.10343 9730.8628
			--
			Step Temp E_pair E_mol TotEng Press
			1 1524.2166 0 134.84564 157.56264 -9362.8578
			2 1612.8024 0 126.06614 150.10343 9730.8628