log		relax.log

units		metal
atom_style      atomic

boundary	p p p

lattice         diamond 4.511
read_data       rout

pair_style      sw
pair_coeff      * * /ascldap/users/xzhou/2010/GaN/files/GaN1.sw Ga N Ga N Ga N

neighbor	0.3 bin
neigh_modify	delay 0

variable        xlen equal lx
variable        ylen equal ly
variable        zlen equal lz
variable        temper equal temp
variable        Etot equal etotal

timestep        0.001

fix             temp all temp/rescale 1 {(Tmid+Tbnd)/2} {(Tmid+Tbnd)/2} 0.0 1.0
fix             int all nph xyz 0.0 0.0 0.1
fix             ave all ave/time 1 {NPTave} {2*NPTave} v_xlen v_ylen v_zlen v_temper v_Etot file avelen 

run             {2*NPTave}
