#----------------------- INITIATION-----------------------------------------------
kim_init    Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_003 metal
dimension 	3
boundary 	f f f #X-periodic Y-periodic Z-periodic
atom_style 	full
newton		on

#---------------------- ATOM DATA-------------------------------------------------

read_data 	mytube_50.txt

#---------------------- FORCE FIELD-----------------------------------------------

pair_style 	airebo 3.0 1 1 
kim_interactions C
neighbor 	3.0 bin


#---------------------- GROUP DEFINITION------------------------------------------

region  	lower block INF INF INF INF INF 5 units box
region  	upper block INF INF INF INF 95 INF units box

group   	upper region upper
group  		lower region lower
group 		boundary union upper lower
group   	mobile subtract all upper lower

#---------------------- EQUILIBRIATION--------------------------------------------

velocity 	all create 5.0 31415 loop geom
fix 		1 all nve
dump		1 all atom 100 dump.min
thermo		1
thermo_style custom step temp pe etotal fnorm fmax
min_style   fire -20 60  xlo xhi
minimize	1.0e-6 0.00001 10000 10000

#The force on the z direction of the fixed end is 0, and the force on the xy direction remains the original value
fix 		sf1 upper setforce NULL NULL 0.0 
fix 		sf2 lower setforce NULL NULL 0.0 
#The speed of the upper and lower parts along the z direction is set to 0, and the cnt is fixed in the z direction
velocity	upper set NULL NULL 0  
velocity	lower set NULL NULL 0 

#----------------------Deformation----------------------------------------------------
variable 	a loop 1000
label 		loop

displace_atoms	upper move 0 0 0
#displace_atoms	lower move 0 0 -0.1

displace_atoms lower rotate 0 0 0 0 1 0 1

#The force on the z direction of the fixed end is 0, and the force on the xy direction remains the original value
fix 		sf1 upper setforce 0 0 0.0 
fix 		sf2 lower setforce 0 0 0.0 
#The speed of the upper and lower parts along the z direction is set to 0, and the cnt is fixed in the z direction
velocity	upper set 0 0 0  
velocity	lower set 0 0 0 
min_style   fire
minimize	1.0e-6 0.00001 10000 10000
next		a
#input.lammps is the file name of this file. An error will occur if the file name is different
jump 		cnt.in loop