log.none-cosine-delta
778d32327db2efficient_neuronet

log.none-cosine-delta
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 4.3639496 4.3639496 0.000000
			1 27.905898 0 3.7954119 4.2113228 19.012235
			--
			Step Temp E_pair E_mol TotEng Press
			0 27.905898 0 3.7954119 4.2113228 19.012235
			1 97.656716 0 2.382512 3.8379926 66.533332
			--
			Step Temp E_pair E_mol TotEng Press
			1 27.905898 0 3.7954119 4.2113228 19.012235
			2 97.656716 0 2.382512 3.8379926 66.533332