/span> <span class="o">=</span> <span class="n">output</span><span class="o">.</span><span class="n">simulations</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s1">&#39;thermo&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">PotEng</span><span class="o">.</span><span class="n">values</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
            <span class="n">energy_values</span><sp