How to create a random configuration of atoms (assume 10000 atoms) in lammps?

Hi, all uses:
I want to simulate a random configuration of atoms to study the crystallization process. but how can I create such a initial configurations? thanks very much!
best wishes
Xuepeng liu

This doc page explains how to do it:


This question is too vague.
Random in what way?
Do you have molecules in your system, or just atoms?
Do you want to avoid atom-overlap?

Arguably, the goal of many simulations IS to generate atom coordinates
in a random way (...but consistent with some force-field, temperature,
pressure/chemical-potential, field, conditions, etc...).

Can you clarify what you mean?


I suppose you could generate a simple cubic lattice of atoms by
defining a lattice and using the create atoms command (or use a tool
like topotools or moltemplate). Then simulate them for a while using
fix langevin (NVT or NPT) with the attractive-forces between particles
turned off. Then save the coordinates using the "write_data" command
(or periodically in a dump file).

oops, you answered this right before I did

I think you are right.
"create_atoms" is probably what he wanted.

Hi, by the way!