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  <attribution id="A7">
    <name>Fredric GRANBERG</name>
    <affiliation>Department of Physics, University of Helsinki</affiliation>
    <doi>10.1088/1361-648X/ab0682</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 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. AES acknowledges support from the Academy of Finland through project No. 311472. Grants of computer capacity from CSC—IT Center for Science, Finland are gratefully acknowledged.</acknowledgements>
  </attribution>
  <material>
    <formula>Fe</formula>
    <structure>bcc</structure>
    <lattice_parameters>
      <a units="Å">2.860100</a>
      <b units="Å">2.860100</b>
      <c units="Å">2.860100</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">5.000000</energy>
    <recoil>true</recoil>
  </PKA>
  <electronic_stopping>true</electronic_stopping>
  <electronic_stopping_comment>for all atoms with K.E. &gt; 1 eV</electronic_stopping_comment>
  <thermostat>true</thermostat>
  <thermostat_comment>border cooling, 300 K</thermostat_comment>
  <simulation_time units="ps">30.000</simulation_time>
  <initial_temperature units="K">300.00</initial_temperature>
  <simulation_box>
    <box_X_length units="Å">171.6084</box_X_length>
    <box_Y_length units="Å">180.1882</box_Y_length>
    <box_Z_length units="Å">188.7691</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/4</uri>
    <doi>10.1088/0953-8984/16/27/003</doi>
  </interatomic_potential>
  <code>
    <name>PARCAS</name>
    <version>5.05</version>
  </code>
  <data>
    <archive_name>041-A04-300K-5keV-H.tar.gz</archive_name>
    <comments>High damage</comments>
  </data>
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