kim init {modelname} metal

boundary        p p p
atom_style      atomic

read_data       {xyzfile}

change_box      all triclinic

kim interactions {symbol}

# For visualization
#compute         ackland all ackland/atom
#compute         cna all cna/atom 3.8506
#compute         centro all centro/atom {lattice_type}
#compute         coord all coord/atom cutoff 4.0

#fix             1 all npt temp 10.0 10.0 1.0 x 0.0 0.0 10.0 y 0.0 0.0 10.0 z 0.0 0.0 10.0
#fix             1 all box/relax tri 0.0

thermo          1
thermo_style    custom step atoms temp press pe ke etotal vol pxx pyy pzz pxy pyz pxz

min_style       cg
min_modify      line backtrack
minimize        0.0 1.0e-8 100000 100000

# Dump file for visualization and further analysis
dump            1 all custom 100000 {dumpfile} id x y z
#dump_modify     1 sort id

fix             1 all box/relax tri 0.0

min_style       cg
min_modify      line backtrack
minimize        0.0 1.0e-16 100000 100000