I have an amorphous silica surface system with 576 atoms which was generated using BKS forcefield. I would like to relax the system with Reaxff. To do that I use the fixes in lammps as,
fix 1 mobile nve fix 2 mobile qeq/reax 1 0.0 10.0 1.0e-6 reax/c fix 3 mobile press/berendsen z 1.0 1.0 1000 modulus 360000 fix 4 mobile temp/berendsen 298.0 298.0 100.0
can someone point out whether I should use the pressure tensors in all lattice directions or having the z direction specified is enough? so that it physically makes sense!