n><span class="p">,</span> <span class="s2">&quot;ngrid&quot;</span><span class="p">,</span> <span class="s2">&quot;norientations&quot;</span><span class="p">]</span>
    <span class="n">crystal_keys</span> <span class="o">=</span> <span class="p">[</span>
        <span class="s2">&quot;lfactor&quot;</span><span class="p">,</span>
        <span class="s2">&quot;lattvec&quot;</span><span class="p">,</span>
        <span class="s2">&quot;types&quot;</span><span class="p">,</span>
        <span class="s2">&quo