Ambiguity in the unit kcal/mol

LAMMPS LAMMPS Beginners
1

Dear LAMMPS users and developers,

I am computing the kinetic energy of a group of 24 atoms with the command : " compute ID group-ID ke" in real units. The result is given in kcal/mol.

My question is: Does this unit represent energy per one mole of the group or does it represent energy per one mole of the atoms ?

Thank you,
Rafid.

2

It is one mol of whatever item you are looking at; single atom, group of atoms or total system.

3

Thank you so much for your answer.