kim init MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002 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

    mass * 1.0 # Mass unimportant since we're not doing time integration

    atom_modify sort 0 0

    kim interactions Ni

    # 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

    log output/isolated_atom_energy.lammps.log

    run 0

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