log.none-fourier
778d32327db2efficient_neuronet

log.none-fourier
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 127.77781 127.77781 0.000000
			1 14.290606 0 127.56025 127.77324 9.736162
			--
			Step Temp E_pair E_mol TotEng Press
			0 14.290606 0 127.56025 127.77324 9.736162
			1 52.491775 0 126.9789 127.76124 35.762545
			--
			Step Temp E_pair E_mol TotEng Press
			1 14.290606 0 127.56025 127.77324 9.736162
			2 52.491775 0 126.9789 127.76124 35.762545