LAMMPS input/output for "Crystallization Transition Pathways in Neutron-Irradiated Quartz: Insights from Atomistic Simulations"

* DirectoryAll files are stored in the `xxx/yy` directories. `xxx` is the ID of the simulated system, and there are 52 such directories. `yy` corresponds to the target crystallinity. Each `xxx/yy` directory contains the LAMMPS input and output files. * INPUT files** Initial annealing simulationsLAMMPS input files for the initial annealing simulations. `xxx/yy/quartz_*.data` files are the structures generated by irradiation simulations and are used as the initial configurations for the annealing simulations. - `xxx/yy/quartz_*.data` - `xxx/yy/heat.in` ** Subsequent metadynamics simulationsLAMMPS input files for the metadynamics simulations performed after annealing. - `xxx/yy/init.in` - `xxx/yy/meta.in` - `xxx/yy/init.dat` - `xxx/yy/plumed.dat` * OUTPUT files** Results of initial annealing simulations - `xxx/yy/heat.log` - `xxx/yy/heat.lammpstrj` ** Results of subsequent metadynamics simulations - `xxx/yy/cv2.log` - `xxx/yy/init.lammpstrj` - `xxx/yy/HILLS` - `xxx/yy/fes.dat`