units metal

boundary p p f

atom_style atomic

read_data dd

mass 1 26.9
mass 2 14.01
mass 3 69.72

pair_style sw
pair_coeff * * GaNAl.sw  Ga N Al 

region r_fix block INF INF INF INF INF 3.11135 units box

region r_middle block INF INF INF INF 4.97 $(26+step*0.0000048*0.85)  units box

region r_surface block INF INF INF INF 27 29 units box

region r_adatom block 0.0 45.5 0.0 79.92 $(29+step*0.0000048*0.85) $(29+step*0.0000048*0.85)
group g_adatom region r_adatom

region r_deposition block 0.0 45.5 0.0 79.92 $(27+step*0.0000048*0.85) 126
group g_deposition region r_deposition

group g_depo type 1 2 3

group g_surface region r_surface

group g_middle region r_middle

group g_fix region r_fix



fix 10 g_deposition nve

fix muro all wall/reflect zhi 50

fix 2 g_fix setforce 0.0 0.0 0.0

fix 3 g_middle nvt temp 1000 1000 0.1

fix 6 g_depo deposit 8000 2 2500 67546 region  r_adatom  vz -15.29 -15.29 units box
fix 7 g_depo deposit 2000 1 1250 69546 region r_adatom  vz -11.22 -11.22 units box
fix 8 g_depo deposit  5000 3 500 70546 region  r_adatom vz -6.9 -6.9 units box

timestep 0.001

thermo 1000

#thermo_modify temp AlN_temp lost ignore norm yes
thermo_modify lost ignore flush yes
dump depoGaN all atom 2000 dump.depoGaN

restart 100000 file.restart
run 20000000

unfix 6

unfix 7
unfix 8


minimize 1.0e-15 1.0e-15 1000 10000
run 5000