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lammps/regtest/bond/ref/log.none-fourier-c
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log.none-fourier-c
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Step Temp E_pair E_mol TotEng Press
0 0 0 -22.22232 -22.22232 0.000000
1 143.92084 0 -24.431993 -22.286989 98.052988
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Step Temp E_pair E_mol TotEng Press
0 143.92084 0 -24.431993 -22.286989 98.052988
1 507.91996 0 -30.036506 -22.466441 346.044890
--
Step Temp E_pair E_mol TotEng Press
1 143.92084 0 -24.431993 -22.286989 98.052988
2 507.91996 0 -30.036506 -22.466441 346.044890
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