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  <attribution id="A10">
    <name>Christophe DOMAIN</name>
    <affiliation>EDF R&amp;D Lab Les Renardières</affiliation>
    <doi>10.1088/1361-648X/aadb4e</doi>
    <acknowledgements>This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 and 2019-2020 under grant agreement No 633053.&#13;
This work is part of the European project SOTERIA (661913).&#13;
The views and opinions expressed herein do not necessarily reflect those of the European Commission.</acknowledgements>
  </attribution>
  <material>
    <formula>Fe</formula>
    <structure>bcc</structure>
    <lattice_parameters>
      <a units="Å">2.855300</a>
      <b units="Å">2.855300</b>
      <c units="Å">2.855300</c>
      <alpha units="deg">90.000000</alpha>
      <beta units="deg">90.000000</beta>
      <gamma units="deg">90.000000</gamma>
    </lattice_parameters>
  </material>
  <has_surface>false</has_surface>
  <initially_perfect>true</initially_perfect>
  <PKA_atomic_number>26</PKA_atomic_number>
  <PKA>
    <energy units="keV">80.000000</energy>
    <recoil>true</recoil>
  </PKA>
  <electronic_stopping>false</electronic_stopping>
  <thermostat>false</thermostat>
  <thermostat_comment>NVE</thermostat_comment>
  <simulation_time units="ps">56.425</simulation_time>
  <initial_temperature units="K">100.00</initial_temperature>
  <simulation_box>
    <box_X_length units="Å">342.6360</box_X_length>
    <box_Y_length units="Å">342.6360</box_Y_length>
    <box_Z_length units="Å">342.6360</box_Z_length>
    <box_orientation>
      <X_orientation>100</X_orientation>
      <Y_orientation>010</Y_orientation>
      <Z_orientation>001</Z_orientation>
    </box_orientation>
  </simulation_box>
  <interatomic_potential>
    <uri>https://cascadesdb.org/potential/7</uri>
    <filename>fe_mendelev10.pot</filename>
    <doi>10.1088/0953-8984/16/27/003</doi>
  </interatomic_potential>
  <code>
    <name>DYMOKA</name>
    <version>16.10</version>
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  <data>
    <archive_name>06d-fe_AM04_100k_bx120_80kev_test1_rnd_80kev100k.tar.gz</archive_name>
    <comments>PKA direction 1 3 5&#13;
thermalization initial conditions: 100 101 102 105 108 109 112 114 115 116 117</comments>
  </data>
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