units		cgs
boundary    s s s
atom_style  peri
atom_modify	map array

#### tensile bar ####################################################
lattice			sc 0.10

region	r_big_block block -1.0 1.0 -3.0 3.0 -0.25 0.25 units box
region	r_small_block_1 block -1.5 -0.5 -1.0 1.0 -0.5 0.5 units box
region	r_small_block_2 block 0.5 1.5 -1.0 1.0 -0.5 0.5 units box
region	r_cylinder_1 cylinder z -1.5 1.0 1.0 -0.5 0.5 units box
region	r_cylinder_2 cylinder z -1.5 -1.0 1.0 -0.5 0.5 units box
region	r_cylinder_3 cylinder z 1.5 1.0 1.0 -0.5 0.5 units box
region	r_cylinder_4 cylinder z 1.5 -1.0 1.0 -0.5 0.5 units box

create_box      1 r_big_block

create_atoms    1 region r_big_block

delete_atoms	region r_small_block_1
delete_atoms	region r_small_block_2
delete_atoms	region r_cylinder_1
delete_atoms	region r_cylinder_2
delete_atoms	region r_cylinder_3
delete_atoms	region r_cylinder_4

#####################################################################

neighbor	    0.10 bin

pair_style      peri/eps
pair_coeff      * * 6.57E11 2.59E11 0.30001 0.01 0.25 2.031E9

set		group all density 2.71
set		group all volume 0.001

#####################################################################

region		top_reg block -1.0 1.0 2.75 3.0 -0.25 0.25 units box
group		top_grp region top_reg

region		bottom_reg block -1.0 1.0 -3.0 -2.75 -0.25 0.25 units box
group		bottom_grp region bottom_reg

#####################################################################

timestep	1.0e-9

#dump		xyz_dump all xyz 2 tensile.xyz
fix			1 all nve
run			5
unfix		1

variable strain equal y[3285]-y[3120]

thermo			100000
thermo_style	custom step cpu etotal v_strain pyy

dump		xyz_dump all xyz 100000 tensile.xyz

fix			instron_gripT top_grp move linear 0.0 50.00 0.0
fix			instron_gripB bottom_grp move linear 0.0 -50.00 0.0

group		nve_group subtract all bottom_grp top_grp
fix			1 nve_group nve

run			5000000