# Initialization
units           metal
boundary        p p p
atom_style      atomic
processors      * * 1

# System and atom definition
read_data       BN.data     # read lammps data file

# Neighbor update settings 
neighbor        2.0 bin
neigh_modify    every 1
neigh_modify    delay 0
neigh_modify    check yes

# Potential
pair_style      extep
pair_coeff      * * ../../../../potentials/BN.extep B N

# Output 
thermo          10
thermo_style    custom step time etotal pe temp lx ly lz pxx pyy pzz
thermo_modify   line one format float %14.8g

# Setup NPT MD run
timestep        0.0001 # ps
velocity        all create 300.0 12345
fix             thermos all npt temp 300 300 1.0 x 0 0 1.0 y 0 0 1.0
run 1000