Stress at no loading state

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1

Dear all,

An Al specimen with size 100a0x210a0x4a0 (a0: lattice parameter, x:[100], y: [010], and z: [001]) is used in my molecular statics simulation. Before going to further steps, I want to check the residual stress of
the structure at no loading state. In my study, Sigma_ij= (stress/atom_ij)/(volume of 1 atom).

2

Have you tried dumping the forces on all the
atoms after minimization? If they are small, the
minimizer has done what it can do.

Steve