# NaCl melt 
# Born-Mayer-Huggins potential described in (Fumi and Tosi), 

units          real
atom_style     charge
boundary       p p p
lattice        custom 5.640560 &
               basis 0.000000 0.000000 0.000000 &
               basis 0.000000 0.500000 0.500000 &
               basis 0.500000 0.000000 0.500000 &
               basis 0.500000 0.500000 0.000000 &
               basis 0.500000 0.500000 0.500000 &
               basis 0.500000 0.000000 0.000000 &
               basis 0.000000 0.500000 0.000000 &
               basis 0.000000 0.000000 0.500000 
region         box block 0 2 0 2 0 2
create_box     2 box
create_atoms   2 box &
               basis 1 2  basis 2 2  basis 3 2  basis 4 2  &
               basis 5 1  basis 6 1  basis 7 1  basis 8 1 
replicate      10 10 10 

group          Cl type 1
group          Na type 2

mass           1 35.452700 # Cl
mass           2 22.989800 # Na
set group      Cl charge -1
set group      Na charge +1

pair_style      born/coul/long 10
pair_coeff      2 2 6.081 0.3170 2.340 24.18024 -11.5120
pair_coeff      1 2 4.864 0.3170 2.755 161.2016 -200.02100
pair_coeff      1 1 3.649 0.3170 3.170 1669.588 -3352.8700

dielectric      1.0
kspace_style    ewald 1.0e-5

thermo		10
# thermo_style	multi

velocity	all create 300 7777

timestep        1
fix		1 all nvt temp 300 300 1
# dump		0 all atom 1 test.lammpstrj
run		1000