This work is based on the published work " " Credits for the input script for LAMMPS is to the link "https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_Dislocation_Mobility.html". The authors thank all the contributors of this work in the link MD files: 1. LAMMPS input file 2. Potential file ML files: 1. XGBoost&SHAP python file 2. Input data for ML