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<cdbrecord id="R127">
  <attribution id="A16">
    <name>Iisa SAUNAMÄKI</name>
    <affiliation>Aalto University</affiliation>
    <doi>[No source Ref]</doi>
    <comments>Manuscript in preparation</comments>
    <acknowledgements>This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 633053.&#13;
The views and opinions expressed herein do not necessarily reflect those of the European Commission.&#13;
Computational resources provided by the Aalto Science-IT project are gratefully acknowledged.</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">10.000000</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>After each cascade simulation (20 ps), temperature quenched back to 300K</thermostat_comment>
  <input_filename>md.in-*</input_filename>
  <simulation_time units="ps">20.000</simulation_time>
  <initial_temperature units="K">300.00</initial_temperature>
  <simulation_box>
    <box_X_length units="Å">316.4788</box_X_length>
    <box_Y_length units="Å">316.4794</box_Y_length>
    <box_Z_length units="Å">316.4784</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/1</uri>
    <filename>eam.W.W.in</filename>
    <comment>Erratum https://doi.org/10.1016/j.nimb.2010.01.011</comment>
    <doi>10.1016/j.nimb.2009.06.123</doi>
  </interatomic_potential>
  <code>
    <name>PARCAS</name>
    <version>5.10</version>
  </code>
  <initial_configuration>
    <comments>This data set contains every tenth frame from a series of 1000 consecutive cascades beginning from pristine crystal: i.e. frames 1, 10, 20, 30, ... after 0, 9, 19, 29 cascades; the initial frame for each individual cascade is therefore not available.</comments>
  </initial_configuration>
  <data>
    <archive_name>127-10keV-W--0.1_hydrostatic_pristine.tar.gz</archive_name>
    <comments>This data set contains overlapping cascade simulations with external stress implemented by applying -0.1 % strain hydrostatically from pristine initial conditions.
This data set contains every tenth frame from a series of 1000 consecutive cascades beginning from pristine crystal.</comments>
  </data>
</cdbrecord>

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