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<?xml version="1.0" encoding="UTF-8"?>
<qes:espresso xsi:schemaLocation="http://www.quantum-espresso.org/ns/qes/qes-1.0 http://www.quantum-espresso.org/ns/qes/qes-1.0.xsd" Units="Hartree atomic units" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:qes="http://www.quantum-espresso.org/ns/qes/qes-1.0">
  <!--If not explicitely indicated, all quantities are expressed in Hartree atomic units-->
  <general_info>
    <xml_format NAME="QEXSD" VERSION="0.1.0">QEXSD_0.1.0</xml_format>
    <creator NAME="PWSCF" VERSION="6.3MaX">XML file generated by PWSCF</creator>
    <created DATE="16May2019" TIME=" 9:36:58">This run was terminated on:   9:36:58  16 May 2019</created>
    <job></job>
  </general_info>
  <parallel_info>
    <nprocs>12</nprocs>
    <nthreads>1</nthreads>
    <ntasks>1</ntasks>
    <nbgrp>1</nbgrp>
    <npool>1</npool>
    <ndiag>12</ndiag>
  </parallel_info>
  <input>
    <control_variables>
      <title></title>
      <calculation>bands</calculation>
      <restart_mode>from_scratch</restart_mode>
      <prefix>SI</prefix>
      <pseudo_dir>./</pseudo_dir>
      <outdir>./</outdir>
      <stress>false</stress>
      <forces>false</forces>
      <wf_collect>true</wf_collect>
      <disk_io>low</disk_io>
      <max_seconds>10000000</max_seconds>
      <etot_conv_thr>1.000000000000e-4</etot_conv_thr>
      <forc_conv_thr>1.000000000000e-3</forc_conv_thr>
      <press_conv_thr>5.000000000000e-1</press_conv_thr>
      <verbosity>high</verbosity>
      <print_every>100000</print_every>
    </control_variables>
    <atomic_species ntyp="1">
      <species name="Si">
        <mass>2.808600000000000e1</mass>
        <pseudo_file>Si.pbe-mt_fhi.UPF</pseudo_file>
      </species>
    </atomic_species>
    <atomic_structure nat="8" alat="1.026121694631e1" bravais_index="1">
      <atomic_positions>
        <atom name="Si" index="1">0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</atom>
        <atom name="Si" index="2">0.000000000000000e0 5.130608473157374e0 5.130608473157374e0</atom>
        <atom name="Si" index="3">5.130608473157374e0 0.000000000000000e0 5.130608473157374e0</atom>
        <atom name="Si" index="4">5.130608473157374e0 5.130608473157374e0 0.000000000000000e0</atom>
        <atom name="Si" index="5">7.695912709736062e0 2.565304236578687e0 7.695912709736062e0</atom>
        <atom name="Si" index="6">2.565304236578687e0 2.565304236578687e0 2.565304236578687e0</atom>
        <atom name="Si" index="7">2.565304236578687e0 7.695912709736062e0 7.695912709736062e0</atom>
        <atom name="Si" index="8">7.695912709736062e0 7.695912709736062e0 2.565304236578687e0</atom>
      </atomic_positions>
      <cell>
        <a1>1.026121694631475e1 0.000000000000000e0 0.000000000000000e0</a1>
        <a2>0.000000000000000e0 1.026121694631475e1 0.000000000000000e0</a2>
        <a3>0.000000000000000e0 0.000000000000000e0 1.026121694631475e1</a3>
      </cell>
    </atomic_structure>
    <dft>
      <functional>PBE</functional>
    </dft>
    <spin>
      <lsda>false</lsda>
      <noncolin>false</noncolin>
      <spinorbit>false</spinorbit>
    </spin>
    <bands>
      <smearing degauss="1.000000000000e-3">gaussian</smearing>
      <tot_charge>0.000000000000000e0</tot_charge>
      <occupations>smearing</occupations>
    </bands>
    <basis>
      <ecutwfc>1.500000000000000e1</ecutwfc>
    </basis>
    <electron_control>
      <diagonalization>davidson</diagonalization>
      <mixing_mode>plain</mixing_mode>
      <mixing_beta>5.000000000000000e-1</mixing_beta>
      <conv_thr>1.000000000000000e-8</conv_thr>
      <mixing_ndim>8</mixing_ndim>
      <max_nstep>100</max_nstep>
      <real_space_q>false</real_space_q>
      <tq_smoothing>false</tq_smoothing>
      <tbeta_smoothing>false</tbeta_smoothing>
      <diago_thr_init>0.000000000000000e0</diago_thr_init>
      <diago_full_acc>false</diago_full_acc>
      <diago_cg_maxiter>20</diago_cg_maxiter>
    </electron_control>
    <k_points_IBZ>
      <nk>100</nk>
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      <k_point weight="1.000000000000e0">-8.518519000000000e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-8.703704000000000e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-8.888888999999999e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-9.074074000000000e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-9.259259000000000e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-9.444443999999999e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-9.629630000000001e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-9.814814999999999e-1 0.000000000000000e0 0.000000000000000e0</k_point>
      <k_point weight="1.000000000000e0">-1.000000000000000e0 0.000000000000000e0 0.000000000000000e0</k_point>
    </k_points_IBZ>
    <ion_control>
      <ion_dynamics>none</ion_dynamics>
      <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>2.047905838762161e5</wmass>
      <cell_factor>0.000000000000000e0</cell_factor>
      <free_cell rank="2" dims="3 3" order="F">
        1 1 1
        1 1 1
        1 1 1
        </free_cell>
    </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>
        <n_scf_steps>1</n_scf_steps>
        <scf_error>0.000000000000000e0</scf_error>
      </scf_conv>
    </convergence_info>
    <algorithmic_info>
      <real_space_q>false</real_space_q>
      <uspp>false</uspp>
      <paw>false</paw>
    </algorithmic_info>
    <atomic_species ntyp="1" pseudo_dir="./">
      <species name="Si">
        <mass>2.808600000000000e1</mass>
        <pseudo_file>Si.pbe-mt_fhi.UPF</pseudo_file>
      </species>
    </atomic_species>
    <atomic_structure nat="8" alat="1.026121694631e1" bravais_index="1">
      <atomic_positions>
        <atom name="Si" index="1">0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</atom>
        <atom name="Si" index="2">0.000000000000000e0 5.130608473157374e0 5.130608473157374e0</atom>
        <atom name="Si" index="3">5.130608473157374e0 0.000000000000000e0 5.130608473157374e0</atom>
        <atom name="Si" index="4">5.130608473157374e0 5.130608473157374e0 0.000000000000000e0</atom>
        <atom name="Si" index="5">7.695912709736062e0 2.565304236578687e0 7.695912709736062e0</atom>
        <atom name="Si" index="6">2.565304236578687e0 2.565304236578687e0 2.565304236578687e0</atom>
        <atom name="Si" index="7">2.565304236578687e0 7.695912709736062e0 7.695912709736062e0</atom>
        <atom name="Si" index="8">7.695912709736062e0 7.695912709736062e0 2.565304236578687e0</atom>
      </atomic_positions>
      <cell>
        <a1>1.026121694631475e1 0.000000000000000e0 0.000000000000000e0</a1>
        <a2>0.000000000000000e0 1.026121694631475e1 0.000000000000000e0</a2>
        <a3>0.000000000000000e0 0.000000000000000e0 1.026121694631475e1</a3>
      </cell>
    </atomic_structure>
    <symmetries>
      <nsym>24</nsym>
      <nrot>48</nrot>
      <space_group>0</space_group>
      <symmetry>
        <info name="identity" class="E">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 3 4 5 6 7 8</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,0,1]" class="8C3">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 3 4 7 8 5 6</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,1,0]" class="8C3">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 3 4 6 5 8 7</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,0,0]" class="8C3">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 3 4 8 7 6 5</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,-1,-1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 2 3 7 6 8 5</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,1,1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 2 3 8 5 7 6</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,1,-1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 2 3 6 7 5 8</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,-1,1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 2 3 5 8 6 7</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,1,1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 4 2 8 6 5 7</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,1,-1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 4 2 5 7 8 6</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [1,-1,-1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 4 2 6 8 7 5</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="120 deg rotation - cart. axis [-1,-1,1]" class="3C2">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 4 2 7 5 6 8</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,1,0]" class="6S4">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 2 4 5 8 7 6</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,-1,0]" class="6S4">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 2 4 7 6 5 8</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,0,-1]" class="6s_d">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 2 4 8 5 6 7</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,0,1]" class="6s_d">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 3 2 4 6 7 8 5</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,0,1]" class="6S4">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 3 2 6 5 7 8</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [-1,0,1]" class="6S4">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 3 2 5 6 8 7</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,1,0]" class="6s_d">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 3 2 7 8 6 5</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [0,-1,0]" class="6s_d">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 4 3 2 8 7 5 6</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,1,1]" class="6S4">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 4 3 5 7 6 8</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,1,-1]" class="6S4">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 4 3 8 6 7 5</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [-1,0,0]" class="6s_d">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 4 3 6 8 5 7</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inv.  90 deg rotation - cart. axis [1,0,0]" class="6s_d">crystal_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          </rotation>
        <fractional_translation>0.000000000000000e0 0.000000000000000e0 0.000000000000000e0</fractional_translation>
        <equivalent_atoms nat="8" size="8">1 2 4 3 7 5 8 6</equivalent_atoms>
      </symmetry>
      <symmetry>
        <info name="inversion" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,0,1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [0,1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="inv. 180 deg rotation - cart. axis [1,0,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
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          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,1,1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
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          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [0,1,-1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
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          </rotation>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [-1,0,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [1,0,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,-1,0]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 -1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [0,0,-1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 1.000000000000000e0 0.000000000000000e0
          -1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name=" 90 deg rotation - cart. axis [0,0,1]" class="not found">lattice_symmetry</info>
        <rotation rank="2" dims="3 3" order="F">
          0.000000000000000e0 -1.000000000000000e0 0.000000000000000e0
          1.000000000000000e0 0.000000000000000e0 0.000000000000000e0
          0.000000000000000e0 0.000000000000000e0 1.000000000000000e0
          </rotation>
      </symmetry>
      <symmetry>
        <info name="180 deg rotation - cart. axis [1,0,1]" class="not found">lattice_symmetry</info>
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  </output>
  <status>0</status>
  <cputime>11</cputime>
  <closed DATE="16 May 2019" TIME=" 9:36:59"></closed>
</qes:espresso>