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  <attribution id="A14">
    <name>Aslak FELMANN</name>
    <affiliation>Department of Physics, University of Helsinki</affiliation>
    <doi>10.1088/1361-648x/ab2ea4</doi>
    <comments>Collision cascade simulations with systems containing vacancy type defects in tungsten</comments>
    <acknowledgements>This work has been carried out within the framework of the EURO-fusion 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. We acknowledge grants of computer capacity from the IT Centre for Science in Finland, CSC and the Finnish Grid and Cloud Infrastructure (persistent identifier urn:nbn:fi:research-infras-2016072533)</acknowledgements>
  </attribution>
  <material>
    <formula>W</formula>
    <structure>bcc</structure>
    <lattice_parameters>
      <a units="Å">3.165200</a>
      <b units="Å">3.165200</b>
      <c units="Å">3.165200</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>false</initially_perfect>
  <PKA_atomic_number>74</PKA_atomic_number>
  <PKA>
    <energy units="keV">1.000000</energy>
    <recoil>true</recoil>
  </PKA>
  <electronic_stopping>true</electronic_stopping>
  <electronic_stopping_comment>for all atoms with K.E. &gt;10 eV</electronic_stopping_comment>
  <thermostat>true</thermostat>
  <thermostat_comment>On the border atoms</thermostat_comment>
  <input_filename>md.in-*</input_filename>
  <simulation_time units="ps">100.000</simulation_time>
  <initial_temperature units="K">300.00</initial_temperature>
  <simulation_box>
    <box_X_length units="Å">170.9520</box_X_length>
    <box_Y_length units="Å">170.9514</box_Y_length>
    <box_Z_length units="Å">170.9527</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.iaea.org/potential/15</uri>
    <filename>eam.W.W.in_AT</filename>
    <comment>Modified according to doi: 10.1103/PhysRevB.58.2361</comment>
    <doi>10.1080/01418618708204464</doi>
  </interatomic_potential>
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  <initial_configuration>
    <filename>W-1-void-5-300.xyz</filename>
    <comments>Initial defect: void consisting of 5 vacancies. PKA chosen 15 Å from cell center.</comments>
  </initial_configuration>
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