Looking for larger datasets

[hua0x522]

Hello, I have noticed that some papers related to DeePMD-kit use large amounts of data(such as reaching 100 million atoms in this paper 86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy). May I inquire how one could obtain such a large dataset?

[AnuragKr]

For MD Simulation we can create a larger number of atoms using the replicate command in LAMMPS.
You may want to look into this discussion - #1964

[njzjz]

We have published these two systems at https://github.com/deepmodeling-activity/deepmd-kit-v2-paper. As answered by @AnuragKr, you have to use the replicate command for these systems.