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  <attribution id="A5">
    <name>Andrea SAND</name>
    <affiliation>Department of Physics, University of Helsinki</affiliation>
    <doi>10.1038/s41467-018-03415-5</doi>
    <acknowledgements>This work, supported by the European Communities under the contract of Association between EURATOM/Tekes, was carried out within the framework of the European Fusion Development Agreement. &#13;
&#13;
The views and opinions expressed herein do not necessarily reflect those of the European Commission.&#13;
&#13;
Grants for computer time from the Centre for Scientific Computing in Espoo, Finland, are gratefully acknowledged.</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">100.000000</energy>
    <recoil>true</recoil>
  </PKA>
  <electronic_stopping>true</electronic_stopping>
  <electronic_stopping_comment>for all atoms with K.E. &gt;10 eV; see publication</electronic_stopping_comment>
  <thermostat>true</thermostat>
  <thermostat_comment>on borders, 0 Kelvin; see publication</thermostat_comment>
  <simulation_time units="ps">40.000</simulation_time>
  <initial_temperature units="K">0.00</initial_temperature>
  <simulation_box>
    <box_X_length units="Å">399.7420</box_X_length>
    <box_Y_length units="Å">399.7420</box_Y_length>
    <box_Z_length units="Å">399.7420</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/2</uri>
    <filename>eam.Fe.Fe.in</filename>
  </interatomic_potential>
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    <version>4.0</version>
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  <data>
    <archive_name>008-fpos-100.tar.bz2</archive_name>
    <comments>This data set is provided as part of the IAEA Challenge: "Modelling Damage in a Fusion Reactor", April 2018 – June 2018. See https://challenge.iaea.org/ for more details.</comments>
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