# 2d LJ crack simulation
 
 
 
dimension 3
boundary p p p
 
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
 units metal
# create geometry
 

region box block -10 500 -10 500 -10 500 units box
 
create_box 1 box
 

variable ang1 equal  1.03357
region 1 cylinder x 76.46700 215.63600   4.10000 54.18200 104.32484 side in units box rotate v_ang1 54.18200 76.46700  215.63600  0.00000  -0.07679  0.99705
variable ang2 equal  0.29044
region 2 cylinder x 75.19800 214.21100   4.10000 47.79800 54.46107 side in units box rotate v_ang2 47.79800 75.19800  214.21100  0.00000  -0.74680  0.66505
region 10001 union 2 2 1
variable ang3 equal  0.70987
region 3 cylinder x 97.64800 206.22900   4.10000 20.07000 56.62895 side in units box rotate v_ang3 20.07000 97.64800  206.22900  0.00000  -0.33500 -0.94222
region 10002 union 2 3 10001
variable ang4 equal  1.97499
region 4 cylinder x 150.62700 208.19000   4.10000 42.74700 100.40865 side in units box rotate v_ang4 42.74700 150.62700  208.19000  0.00000   0.03699 -0.99932
region 10003 union 2 4 10002
variable ang5 equal  0.38050
region 5 cylinder x 150.62700 208.19000   4.10000 42.74700 71.34535 side in units box rotate v_ang5 42.74700 150.62700  208.19000  0.00000  -0.63930 -0.76895
region 10004 union 2 5 10003
variable ang6 equal  1.14715
region 6 cylinder x 142.46000 214.98000   4.10000 69.30000 94.94675 side in units box rotate v_ang6 69.30000 142.46000  214.98000  0.00000  -0.16955 -0.98552
region 10005 union 2 6 10004

lattice  fcc 3.1

create_atoms 1 region 10005

mass  1 1.0

# LJ potentials
 
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
dump  1 all atom 500 dump.lammpstrj
minimize 1.0e-4 1.0e-6 100 1000
 

#The point coordinates of cylindir longitudinal vectors (the first 3 columns is the first point, the last 3 columns are the second points)

#54.182	  76.467	215.636	     79.843	119.419	  218.944
#47.798	  75.198	214.211	     54.182	76.467	  215.636
#20.07	  97.648	206.229	     47.798	75.198	  214.211
#42.747	  150.627	208.19	     20.07	 97.648	  206.229
#42.747	  150.627	208.19	     69.3	 142.46	  214.98
#69.3	  142.46	214.98	    79.843	119.419	  218.944