# LIST OF ATTACHED FILES ## Examples of LAMMPS input files * for the temperature-driven transitions (pressure of 1 bar) `in_temp.lammps` * 9900 particles (`npt_T_300_Np_9900.data` - input configuration); temperatures of 400, 500, 600, 700 K * for the pressure-driven transitions (temperature of 1600 K) `in_press.lammps` * 15360 particles (`npt_T_1600_Np_15360.data` - input configuration); pressures of 1, 2, 3, 4 GPa ## LAMMPS configuration files for the systems of different sizes * 3360 particles equilibrated at 300 K and 1 bar `npt_T_300_Np_3360.data` * 9900 particles equilibrated at 300 K and 1 bar `npt_T_300_Np_9900.data` * 14520 particles equilibrated at 300 K and 1 bar `npt_T_300_Np_14520.data` * 15360 particles equilibrated at 1600 K and 1 bar `npt_T_1600_Np_15360.data` ## LAMMPS configuration files of different phases of calcium carbonate * phase IV at 1300 K and 1 bar `npt_T_1300_IV.data` * phase V at 1700 K and 1 bar `npt_T_1700_V.data` * phase Vb at 1600 K and 6 GPa `npt_P_6_Vb.data` ## PLUMED input files * for the temperature-driven transitions `plumed_temp.dat` * for the pressure-driven transitions `plumed_press.dat` ## INDEX file required by PLUMED * for the system with 9900 particles `index.ndx`