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

• validation_data_dft.xyz: The validation structures labelled with DFT forces. The file is in the format of xyz which can be conveniently processed using Atomic Simulation Environment (ASE) package.
• validation_data_mgp.xyz: The validation structures labelled with MGP forces. The file is in the format of xyz which can be conveniently processed using Atomic Simulation Environment (ASE) package.
• lmp.mgp: The mapped gaussian process force-field which is used to drive molecular dynamics simulation in LAMMPS.
• gp_from_aimd_model.json: The GP model which contains the training database, together with the hyper-parameter of gaussian process. This file is used to generate the MGP file.