Questions about MSD

Hello everyone,I calculated the MSD of the solute atoms in the alloy, and the calculated results are as follows. But I want to consult the teachers, what is the unit of MSD that we calculate ? nm 2 or Å 2 。Thank you!

It depends on which unit system you have specified in the units command (see units command — LAMMPS documentation). This command is in the lammps input script and not shown in your post. The default value is Lennard-Jones units which will be neither nm^2 nor Angstrom^2. For real units most commonly employed for atomistic systems or metal units it is Angstrom^2.

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