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 24  units box
group g_middle dynamic all region r_middle
region r_surface block INF INF INF INF 24 29 units box
group g_surface dynamic all region r_surface
region r_adatom block 0.0 46.65 0.0 80.8 29 109 side in
group g_adatom dynamic all region r_adatom

region r_deposition block INF INF INF INF 29 EDGE  units box
group g_deposition dynamic all region r_deposition

compute temp3 g_middle temp
compute_modify	temp3  dynamic/dof yes 
compute temp4 g_adatom temp
compute_modify	temp4  dynamic/dof yes 
compute temp5 g_surface temp
compute_modify	temp5  dynamic/dof yes 
group g_depo type 1 2 3

group g_fix region r_fix

#group film subtract g_depo g_deposition g_middle
#compute AlN_temp g_middle temp

#compute_modify AlN_temp dynamic yes
#variable dz2 equal "90+step*0.000004"


#velocity all create 1000.0 4928459 rot yes dist gaussian

fix 13 g_deposition nve

fix 10 g_surface nve
#fix 11 g_adatom nve
#fix 2 g_fix setforce 0.0 0.0 0.0
fix 2 g_fix langevin 1000 1000 0.1 699483
fix 3 g_middle nvt temp 1000 1000 0.1
fix_modify 3 temp temp3

#fix 12 g_adatom temp/rescale 1000 1000 1000 1.0 1.0
#fix 13 g_middle temp/rescale 1000 1000 1000 1.0 1.0

fix 6 g_depo deposit 2000 2 100 67546 region  r_adatom  vz -15.29 -15.29   units box
fix 7 g_depo deposit 1000 1 200 69546 region r_adatom  vz -11.03 -11.03  units box
fix 8 g_depo deposit  1000 3 200 70546 region  r_adatom vz -6.9 -6.9   units box
#variable dz2 equal "80+step*0.000004"
fix muro all wall/reflect zhi EDGE
variable v4 equal count(g_adatom)



#thermo 1000
#thermo_style custom step temp etotal v_v4 c_temp3
#thermo_modify temp AlN_temp lost ignore norm yes
thermo_style	custom step atoms temp epair etotal press c_temp3 c_temp4  c_temp5 
thermo          1000
thermo_modify	temp temp3

#dump depoGaN all atom 2000 dump.depoGaN
thermo_modify lost ignore flush yes
dump depoGaN all atom 2000 dump.depoGaN
restart 200000 file.restart
run 400000


min_style cg
minimize 1.0e-15 1.0e-15 1000 10000
dump depoGaN1 all atom 2000 dump.depoGaN1
run 250000