,</span>
        <span class="n">xyz_chr</span><span class="p">[</span><span class="n">atom_index</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">xyz_chr</span><span class="p">[</span><span class="n">atom_index</span><span class="p">][</span><span class="mi">1</span><span class="p">],</span><span class="n">xyz_chr</span><span class="p">[</span><span class="n">atom_index</span><span class="p">][</span><span class="mi">2</span><span class="p">]))</span>
       