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    <created DATE=" 5Oct2026" TIME="12:16: 9">This run was terminated on:  12:16: 9   5 Oct 2026</created>
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      <k_point weight="1.000000000000e0">5.000000000000000e-1 5.000000000000000e-1 5.000000000000000e-1</k_point>
    </k_points_IBZ>
    <ion_control>
      <ion_dynamics>none</ion_dynamics>
      <upscale>1.000000000000000e2</upscale>
      <remove_rigid_rot>false</remove_rigid_rot>
      <refold_pos>false</refold_pos>
    </ion_control>
    <cell_control>
      <cell_dynamics>none</cell_dynamics>
      <pressure>0.000000000000000e0</pressure>
      <wmass>1.079261540000000e2</wmass>
      <cell_factor>0.000000000000000e0</cell_factor>
      <fix_volume>false</fix_volume>
      <fix_area>false</fix_area>
      <isotropic>false</isotropic>
    </cell_control>
    <symmetry_flags>
      <nosym>false</nosym>
      <nosym_evc>false</nosym_evc>
      <noinv>false</noinv>
      <no_t_rev>false</no_t_rev>
      <force_symmorphic>false</force_symmorphic>
      <use_all_frac>false</use_all_frac>
    </symmetry_flags>
  </input>
  <output>
    <convergence_info>
      <scf_conv>
        <convergence_achieved>true</convergence_achieved>
        <n_scf_steps>3</n_scf_steps>
        <scf_error>1.437177656856805e-6</scf_error>
      </scf_conv>
    </convergence_info>
    <algorithmic_info>
      <real_space_q>false</real_space_q>
      <real_space_beta>false</real_space_beta>
      <uspp>true</uspp>
      <paw>true</paw>
    </algorithmic_info>
    <atomic_species ntyp="1" pseudo_dir="/usr/share/espresso/pseudo/">
      <species name="Al">
        <mass>2.698153850000000e1</mass>
        <pseudo_file>Al.pbe-n-kjpaw_psl.1.0.0.UPF</pseudo_file>
      </species>
    </atomic_species>
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        <atom name="Al" index="1">0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</atom>
        <atom name="Al" index="2">0.000000000000000e0 3.811483107063948e0 3.811483107063948e0</atom>
        <atom name="Al" index="3">3.811483107063948e0 0.000000000000000e0 3.811483107063948e0</atom>
        <atom name="Al" index="4">3.811483107063948e0 3.811483107063948e0 0.000000000000000e0</atom>
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      <cell>
        <a1>7.622966214127894e0 0.000000000000000e0 0.000000000000000e0</a1>
        <a2>0.000000000000000e0 7.622966214127894e0 0.000000000000000e0</a2>
        <a3>0.000000000000000e0 0.000000000000000e0 7.622966214127894e0</a3>
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    </atomic_structure>
    <symmetries>
      <nsym>48</nsym>
      <nrot>48</nrot>
      <space_group>0</space_group>
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      <symmetry>
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      <symmetry>
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      <symmetry>
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      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,-1,0]" class="not found">crystal_symmetry</info>
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      <symmetry>
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      <symmetry>
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        <rotation rank="2" dims="3 3" order="F">
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  <closed DATE=" 5 Oct 2026" TIME="12:16: 9"></closed>
</qes:espresso>
