Mechanical and thermal properties of graphyne nanosheets explored by machine-learning interatomic potentials

Data for our manuscript
The structures’ number are according to “Structures.jpg”
Energy minimized structures in VASP POSCAR are included in “POSCARs.zip”
Complete AIMD datasets for every structure are included in “AIMD-datasets.zip”
LAMMPS input data for every structure are included in “LAMMPS-data-input.zip”
Passively fitted MTPs for the evaluation of mechanical and thermal properties are included in “MTPs.zip”