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lammps/regtest/bond/ref/log.none-cosine-shift
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log.none-cosine-shift
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Step Temp E_pair E_mol TotEng Press
0 0 0 -397.81803 -397.81803 0.000000
1 12.522935 0 -398.00895 -397.82231 8.531852
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Step Temp E_pair E_mol TotEng Press
0 12.522935 0 -398.00895 -397.82231 8.531852
1 45.696424 0 -398.51472 -397.83366 31.132886
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Step Temp E_pair E_mol TotEng Press
1 12.522935 0 -398.00895 -397.82231 8.531852
2 45.696424 0 -398.51472 -397.83366 31.132886
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