stress unit in LJ units

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1

Dear experts,

I am simulating 2 dimensional MD in LJ units. So, the “stress per atom” has the unit of (pressure* area) according the manual.So, in order to present the pressure value in pressure unit like Pa,Bar and … in my results first I should divide it per model or region SURFACE and then multiply its value to epsilon/sigma^3??

Actually, I think that I should multiply to epsilon/sigma^2 instead of epsilon/sigma^3. but the resulted value became too small and I am not sure about that.

any help is highly appreciated

Best regards,

B Daneshian

2

How can you present 2D pressure in bar at all, given that a bar is 10^5 N/m^2? The only sensible unit would be something like force/distance.