an><span class="p">))</span>

        <span class="c1"># Run lammps and extract data</span>
        <span class="k">try</span><span class="p">:</span>
            <span class="n">output</span> <span class="o">=</span> <span class="n">lmp</span><span class="o">.</span><span class="n">run</span><span class="p">(</span><span class="n">lammps_command</span><span class="p">,</span> <span class="n">script_name</span><span class="o">=</span><span class="n">lammps_script</span><span class="p">,</span>
             