  Solid CO2 phase I was studied using the pressure-constant NPT Monte Carlo
simulation and the Kihara core potential in the temperature range below 194 K
and the pressure range below 10 GPa. At a pressure of 1 bar, the temperature
dependence of the calculated lattice constant agreed reasonably well with
experiment. It was found that the random distribution of molecular orientations
due to temperature gave a significant contribution to the increase in the
lattice constant. At high pressure, the pressure dependence of the lattice
constant also agreed well with experiment.
