#input file for machining
dimension  3                                     
boundary   s s p                                    
units metal    
atom_style  atomic
neighbor   2.0 bin
neigh_modify  delay 5
timestep    0.002

region simbox block 0 390 0 200 0 36
create_box 3 simbox

region     tool block 360 390 170 200 0 36

lattice diamond 3.6
create_atoms 1 region tool
mass 1 28.085

region     boundary1    block 0 20 0 180 0 36 units box
region     boundary2    block 20 360 0 20 0 36 units box
region     boundary     union  2  boundary1  boundary2
region     temp_layer1    block 20 40 20 180 0 36 units box
region     temp_layer2    block 40 360 20 40 0 36 units box
region     temp_layer     union  2  temp_layer1  temp_layer2
region     newton_layer  block 40 360 40 180 0 36 units box
region     piece union 3 boundary temp_layer newton_layer

read_data      workpiece1.dat add append

pair_style hybrid meam/c morse 2.5
pair_coeff      * * meam/c library.meam Cu Zr CuZr.meam NULL Cu Zr
pair_coeff      1 2 morse 0.087 5.14 2.05 #Cu-C
pair_coeff      1 3 morse 1.56 3.3786 2.1187 #Zr-C
pair_coeff      1 1 none

group      boundary region boundary
group      temp_layer region temp_layer
group      newton_layer region newton_layer
group      tool region tool
group      mobile union temp_layer newton_layer

fix      01 boundary setforce 0.0 0.0 0.0

minimize        1.0e-10 1.0e-10 100000 100000
reset_timestep	0

velocity            temp_layer create 300 8877423
velocity            tool set -1.0 0.0 0.0 sum yes units box
compute        new_temp temp_layer temp/com
thermo              1000
thermo_style     custom step temp etotal ke pe press pxx pyy pzz

dump                 1 all custom 1000 cutting.txt id type x y z vx vy vz fx fy fz

fix          10 tool nve/noforce
fix          20 newton_layer nve
fix          30 temp_layer nve
fix          31 temp_layer temp/rescale 10 300.0 300.0 10.0 1.0
fix_modify      31 temp new_temp
fix          40 boundary nve/noforce
run          100000