Data files contain molecular dynamics trajectories. All molecular dynamics (MD) simulations are done using the LAMMPS Package. All simulations are conducted in an NPT ensemble using Nose-Hoover thermostat and barostat, with an integration timestep of 1.0 fs. All computed units follow style 'metal' on LAMMPS (https://docs.lammps.org/units.html).

There are two folders in the compressed file:

1. FMP-v1

• contains 5 silica glass (glass-v1) trajectories generated using the FMP-v1 force field from 5 different starting configurations. All trajectories are heated from 300K to 3500K at a rate of 0.5 K/ps and recorded every 50 K (10,000 steps). They are labeled as SiO2_Case1.lammpstrj, SiO2_Case2.lammpstrj, SiO2_Case3.lammpstrj, SiO2_Case4.lammpstrj, and SiO2_Case5.lammpstrj.
• contains flourine-doped silica glass systems generated using the FMP-v1 force field. The F-doped systems are in various compositions. SiO2_F1, SiO2_F3, SiO2_F5 and SiO2_F10 indicate 1.2, 3.7, 6.1, and 11.8 wt% of fluorine atoms in the system, respectively. Each composition has 5 trajectories (different starting configurations), labeled as Case1 to Case5. The trajectories are heated from 300K to 3500K at a rate of 0.5 K/ps and recorded every 50 K (10,000 steps).

1. FMP-v2

• contains 5 silica glass (glass-v2) trajectories generated using the FMP-v2 force field from 5 different starting configurations. All trajectories are heated from 300K to 3500K at a rate of 0.5 K/ps and recorded every 50 K (10,000 steps). They are labeled as SiO2_Case1.lammpstrj to SiO2_Case5.lammpstrj.

In addition, the crystalline phases used as templates are taken from the ICSD database. The ICSD identifiers of the phases are listed below:

• Coesite - CollCode49814
• Tridymite - CollCode38126
• Cristobalite - CollCode75303
• Quartz - CollCode89279
• Stishovite (Rutile_TiO2) - CollCode10078