Dear All,

Here is my typical geometry of the system, which I simulate a sphere of atoms in a large box:

units metal

atom_style atomic

lattice fcc 4.0687

region box block -150 150 -150 150 -150 150 units box

region particle sphere 0.0 0.0 0.0 60 units box

create_box 1 box

create_atoms 1 region particle

When I output the pressure information after running NVT ensemble (at several different temperatures), the mean value of the pressure is around zero, and the fluctuation is less than 5 bars. However, according to the Laplace pressure equation: P_diff=2*gamma/R, where assuming gamma=0.6J/m^2 (surface energy), R=6nm, thus P_diff=2000 bars. Thus can I get zero pressure not 2000 bars from the prediction?

As I understand, the pressure refers to the overall system of atoms.

Best regards,

Leo