ass="k">with</span> <span class="nb">open</span><span class="p">(</span><span class="s1">&#39;run0.template&#39;</span><span class="p">,</span> <span class="s1">&#39;w&#39;</span><span class="p">)</span> <span class="k">as</span> <span class="n">f</span><span class="p">:</span>
    <span class="n">f</span><span class="o">.</span><span class="n">write</span><span class="p">(</span><span class="s2">&quot;&quot;&quot;#LAMMPS input script that evaluates a system&#39;s energy without relaxing</span>

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