The unit cell of the systems was fixed and the simulations were carried out in the canonical ensemble (N, V, T) at 1000 K, adopting the CSVR thermostat with a time constant of 1 ps to regulate the temperature. Each system was simulated for a duration of 20 ps. Snapshots of each system were sampled every 20 timesteps, resulting in a total of 1000 configurations per strained structure, which were used to build the data set. We found that during the dynamics, for some strained structures, a few configurations could have very large forces and those outliers would negatively impact the training of the force field. Therefore, configurations with atomic forces higher than 15 eV Å -1 were excluded from the data set. Among the 64 considered structures, one was found to exhibit dynamically unstable behaviour (the most strained cell of JST), leading to its exclusion from the data set to ensure the integrity and reliability of the training data.