an class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="n">uc</span><span class="o">.</span><span class="n">set_in_units</span><span class="p">(</span><span class="n">energy</span><span class="p">,</span> <span class="n">lammps_units</span><span class="p">[</span><span class="s1">&#39;energy&#39;</span><span class="p">])</span>

    <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">energy_values</span><span class=