### LAMMPS input file

units            metal
dimension        3
boundary         p p p
atom_style       charge

read_data  data.NaPO3

pair_style hybrid/overlay coul/dsf 0.2 12.0 table spline 20000 buck 7.0 nb3b/screened

pair_coeff  * *  coul/dsf
pair_coeff 1  3 table Table_NP.dat  Pair_P-O 7.0
pair_coeff 2  3 table Table_NP.dat  Pair_Na-O 7.0
pair_coeff 3  3 table Table_NP.dat  Pair_O-O 7.0

# pair Buckingham
pair_coeff  1  1  buck  5.093669  0.905598  0.0

# shrm
pair_coeff * * nb3b/screened PSiO.nb3b.screened  P NULL O

neighbor         1.0  bin
neigh_modify     every 10 delay 10 check no
timestep         0.002

thermo 100
thermo_style custom step density lx press pe evdwl ecoul temp

#dump 2 all custom 10000 NaPO3-melt.lammpstrj  id type element x y z
#dump_modify 2 element P  Na  O
variable temp equal 2500

fix 1 all npt temp ${temp} ${temp} $(100*dt) iso 1 1 $(1000*dt)
run 1000