s="p">,</span>
            <span class="s2">&quot;natoms&quot;</span><span class="p">:</span> <span class="n">structure</span><span class="o">.</span><span class="n">num_sites</span><span class="p">,</span>
            <span class="s2">&quot;norientations&quot;</span><span class="p">:</span> <span class="mi">0</span><span class="p">,</span>
            <span class="s2">&quot;lfactor&quot;</span><span class="p">:</span> <span class="mf">0.1</span><span class="p">,</span>
            <span class="s2">&quot;la