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    <creator NAME="PWSCF" VERSION="6.7MaX">XML file generated by PWSCF</creator>
    <created DATE="28Sep2023" TIME="15:42:41">This run was terminated on:  15:42:41  28 Sep 2023</created>
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      <title></title>
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      <refold_pos>false</refold_pos>
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    <cell_control>
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      <pressure>0.000000000000000e0</pressure>
      <wmass>4.802100000000001e2</wmass>
      <cell_factor>0.000000000000000e0</cell_factor>
      <fix_volume>false</fix_volume>
      <fix_area>false</fix_area>
      <isotropic>false</isotropic>
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      <nosym_evc>false</nosym_evc>
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      <force_symmorphic>false</force_symmorphic>
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  <output>
    <convergence_info>
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        <convergence_achieved>true</convergence_achieved>
        <n_scf_steps>9</n_scf_steps>
        <scf_error>4.755016683978076e-6</scf_error>
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    <algorithmic_info>
      <real_space_q>false</real_space_q>
      <real_space_beta>false</real_space_beta>
      <uspp>true</uspp>
      <paw>false</paw>
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    <atomic_species ntyp="2" pseudo_dir="/usr/share/espresso/pseudo/">
      <species name="Mo">
        <mass>9.595000000000001e1</mass>
        <pseudo_file>Mo_ONCV_PBE-1.0.oncvpsp.upf</pseudo_file>
      </species>
      <species name="S">
        <mass>3.206000000000000e1</mass>
        <pseudo_file>s_pbe_v1.4.uspp.F.UPF</pseudo_file>
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        <atom name="Mo" index="3">0.000000000000000e0 0.000000000000000e0 4.027657531799274e1</atom>
        <atom name="S" index="4">-3.023561799401233e-8 3.481100709262529e0 2.948970195517452e0</atom>
        <atom name="S" index="5">0.000000000000000e0 0.000000000000000e0 1.046167624500138e1</atom>
        <atom name="S" index="6">0.000000000000000e0 0.000000000000000e0 1.637748972713909e1</atom>
        <atom name="S" index="7">3.014721662479959e0 1.740550328553044e0 2.389019577662302e1</atom>
        <atom name="S" index="8">3.014721662479959e0 1.740550328553044e0 2.980600925857177e1</atom>
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        <a3>0.000000000000000e0 0.000000000000000e0 4.028555899756557e1</a3>
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    <symmetries>
      <nsym>6</nsym>
      <nrot>24</nrot>
      <space_group>0</space_group>
      <symmetry>
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        <equivalent_atoms nat="9" size="9">
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  <status>0</status>
  <timing_info>
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  </timing_info>
  <closed DATE="28 Sep 2023" TIME="15:42:42"></closed>
</qes:espresso>
