Data for the manuscript "Origin of the yield stress anomaly in L12 intermetallics unveiled with physically-informed machine-learning potentials", https://doi.org/10.1016/j.actamat.2024.120423.

This data set contains:

1) the utilized moment-tensor-potentials (MTP) and the corresponding training sets;

2) The atomistic structure of 2delta Kear-Wilsdorf lock (LAMMPS datafile);

3) a database for the thermodynamic properties of bulk Ni3Al calculated with the utilized MTP;

4) the finite-temperature Gibbs energy for four planar defects in Ni3Al with the utilized MTP.