Folders
NbTaV                               : NbTaV related folders
    cluster_data                    : LAMMPS scripts to get long NbTaV samples and energy analysis
    core_shapes_2                   : dislocation core shapes
    create_NEB                      : python notebook script to create NEB analysis folders 
    cumulative_probability          : applied stress data
    NEB_Analysis (copy)             : includes NEB folders with NEB results
MoNbTaW                             : MoNbTaW related folders
    core_shapes_final               : dislocation core shapes
    cumulative_probability_final    : applied stress data  
    plot_interaction_energies       : interaction energy plots