Breakout

Beginners tutorial for atomman

Lucas Hale

National Insitute of Standards and Technology

Explore and select interatomic potentials from both the NIST Interatomic Potentials Repository and openKIM.
Load and save atomic configurations in multiple file formats.
Access DFT crystal structures from Materials Project and OQMD, and potential-specific relaxed crystal structures from the NIST database.
Freely assign and manipulate per-atom properties, alter the system’s dimensions, rotate it, and replicate it into a supercell.
Use built-in tools to construct and analyze non-bulk configurations, such as nanostructures, free surfaces, stacking faults, point defects and dislocations.
Run LAMMPS simulations using template LAMMPS scripts, where the commands for the potential and initial system are generated by atomman.
Analyze performance and thermo data from LAMMPS log files.