GENERAL
DDD simulations were performed by a private version of paradis-pub-v3.0 from Lawrence Livermore National Lab. The following functionalities are added:
- atomistic dislocation core energy with core correction
- dislocation-precipitate interaction (looping mechanism), including collision detection, read misfit stress, etc.

Molecular Statics Simulations were done with LAMMPS, compiled with n2p2 package
https://compphysvienna.github.io/n2p2/

Misfit stress calculation is calculated with muSpectre open-source code
https://muspectre.readthedocs.io/en/master/

If you have further interest, please contact the author for more information. 

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FILES
1. atom.tar.xz
  atomistic data of Mg5Si6 (orientation px) interacted with edge dislocation in a 100b box
2. dd.tar.xz
  discrete dislocation data of Mg5Si6 (orientation px) interacted with edge in a 100b box