Models.zip contains the input and output files for the nine on-the-fly training simulations described in the
main text, as well as the final trained Gaussian process models. Each folder contains files for a different
material:

Al_Melt: Multi-phase aluminum simulation (Fig. 3)
Al_Vacancy: Aluminum with a vacancy (Fig. 4)
Al_Adatom: (111) Al slab with an adatom (Fig. 4)
AgI: Silver Iodide (Fig. 5)
C: Carbon (Fig. 6)
Si: Silicon (Fig. 6)
Al2O3: Alumin Oxide (Fig. 6)
NiTi: Nickel Titanium (Fig. 6)
BN: Boron Nitride (Fig. 6)

Each folder contains 4 files:
.py: Python script used to generate the on-the-fly MD trajectory.
.out: FLARE output file containing the coordinates and forces at each timestep.
.json: GP model stored in JSON format. The model can be accessed with the "from_dict" method of the FLARE GP class.
.gp: GP model stored as a pickled Python object. The model can be accessed with the Python pickle module.