="n">i</span><span class="p">],</span> <span class="mf">0.1</span><span class="p">,</span> <span class="mf">0.1</span><span class="p">])</span>

        <span class="c1"># Save configuration</span>
        <span class="n">system_info</span> <span class="o">=</span> <span class="n">system</span><span class="o">.</span><span class="n">dump</span><span class="p">(</span><span class="s1">&#39;atom_data&#39;</span><span class="p">,</span> <span class="n">f</span><span class="o">=</span><span class="s1">&#39;diat