This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• README.txt: README file containing a short description of each other file
• INCAR_Train: Input file for on-the-fly training
• INCAR_Retrain: Input file for retraining the MLFF
• INCAR_Prod: Input file for MD production runs
• ML_AB: Atomic structures, energies and forces of the training set
• XDATCAR_0.tar.gz: MD trajectories for x=0
• XDATCAR_0.25.tar.gz: MD trajectories for x=0.25
• XDATCAR_0.5.tar.gz: MD trajectories for x =0.5
• XDATCAR_0.75.tar.gz: MD trajectories for x =0.75
• XDATCAR_1.tar.gz: MD trajectories for x=1