Dear experts,

Greetings. I have a question related to the per atom stress calculation by lammps using snap potential (probably true for any form of IP) for multi element system. In relaxed unit cell I am getting different stress for each atype. For AB2 system stress/A and stress/B are equal but opposite (diagonal components). Each of them should be (near) Zero at equilibrium I guess. For a ternary system I am seeing that stress for A, B, and C are very different, however their sum is zero. That probably related to the lammps, how it calculate stress/atom.

I will be appreciated if someone kindly explain me more And if there any tips to visualize stress distribution in the deformed structure in multi element system.

Best regards,

Rana