kim init {modelname} metal unit_conversion_mode

boundary f f f

variable boxextent equal 25.0
region box block -${{boxextent}} ${{boxextent}} &
                 -${{boxextent}} ${{boxextent}} &
                 -${{boxextent}} ${{boxextent}}

create_box 1 box

create_atoms 1  single 0.0 0.0 0.0

change_box all x scale ${{_u_distance}} &
               y scale ${{_u_distance}} &
               z scale ${{_u_distance}} &
               remap

variable mass_converted equal {mass}*${{_u_mass}}
mass 1 ${{mass_converted}}

atom_modify sort 0 0

kim interactions {symbol}

# Use nsq neighlist method instead of binning since this is a small system
variable neigh_skin equal 2.0*${{_u_distance}}
neighbor ${{neigh_skin}} nsq

# Variables used to rescale the positions and forces so that the quantities in the
# dumpfile are in the original metal units (angstrom and eV/angstrom) even if we're
# running with a Simulator Model that uses different units
variable  pe_metal  equal  "c_thermo_pe/v__u_energy"
thermo_style custom v_pe_metal

run 0

print "Isolated atom energy: ${{pe_metal}} eV"