# Creation of a HalfCrystal prior to generation of MULTIPLE TBs
# T = 0K

units		metal
boundary       p p p
atom_style	atomic

lattice 	fcc 3.615 orient x 1 -1 0 orient y 1 1 -2 orient z 5 2 0 
region		box block 0 4 0 4 0 2
create_box 	1 box
create_atoms	1 box

pair_style     eam
pair_coeff     * * Au_u3.eam

# optimize box size
# fix   1 all box/relax aniso 0.0 vmax 0.001
# output of structures
  dump		1 all xyz 100000 dump.pdef

# frequency of energy... output + kind of output
thermo_style    custom step pe press lx ly lz
thermo		10

# Minimize
# min_style  cg # (check it in the manual)
minimize 0.0 1.0e-8 1000000 100000000