variable	JobName string droplet9
variable	Temperature_h equal 87.3
variable	Temperature_c equal 85.0
variable	coord_cutoff equal 10.0
variable	c_up equal 785.5
variable	c_down equal 753
variable	nano_up equal 771
variable	T equal	20

log		${JobName}.lammps
shell		rm log.lammps
dimension		3
boundary		p p p
units           	real
neighbor		2 bin
neigh_modify    delay 2 every 1 check yes

atom_style       atomic

pair_style      lj/cut 12.5985
pair_modify     mix arithmetic

region 		total block -100 100 -100 100 -15 250 units box
create_box	2 total
region		copper_h block EDGE EDGE EDGE EDGE -3 0 units box
region		droplet1 block -40 40 -41 41 2.87205 40 units box

lattice		fcc 3.6149
create_atoms	1 region copper_h units box

lattice		fcc 5.7441
create_atoms	2 region droplet1 units box

lattice		fcc 36.2507

mass		1 63.546
mass		2 39.948

atom_modify	sort 1000 2.0

pair_coeff	1 1 0.0416963 2.3400
pair_coeff	2 2 0.2398296 3.4050
pair_coeff	1 2 0.1000000 2.8725

balance     	1.0 shift xyz 50 1.0

group		cu type 1
group		Ar1 type 2

min_style 	cg
minimize 	2.3061e-4 2.3061e-5 10000 100000

velocity        Ar1 create $T 12345678 dist gaussian

velocity	cu set 0 0 0 units box

compute		Temp_Ar1 Ar1 temp/com

fix		1 Ar1 nvt temp $T $T 100.0
fix_modify	1 temp Temp_Ar1

fix		2 cu setforce 0.0 0.0 0.0

thermo          1000
thermo_style	custom step cpu c_Temp_Ar1
timestep        1

dump		2 all xyz 10000 ${JobName}.xyz
dump_modify	2 element Cu Ar sort id

dump		1 all xyz 1000000 ${JobName}_2.xyz
dump_modify	1 element Cu Ar sort id

restart		10000 ${JobName}.restart1 ${JobName}.restart2

run		1000000

undump		2

run		10000000