Stage_1/Job.xml output for 1: (Si)8 (Fd-3m) ~ Si (VASP)

Status: finished

<?xml version='1.0'?>
<!DOCTYPE MDRESULTS PUBLIC "-//MD//DTD MDRESULTS 1.0" "http://materialsdesign.com/DTD/mdresults_1_0.dtd">

<MDRESULTS>
  <System id="initial">
    <Date>28 Sep 2024 13:51:54 GMT</Date>
    <Characterization>
      <PropertyValue property="symmetry" type="text" units="">Fd-3m</PropertyValue>
      <PropertyValue property="setting" type="text" units="">Fd-3m</PropertyValue>
      <PropertyValue property="empirical formula" type="text" units="">Si</PropertyValue>
      <PropertyValue property="primitive cell formula" type="text" units="">Si2</PropertyValue>
      <PropertyValue property="primitive Z" type="text" units="">2</PropertyValue>
    </Characterization>
  </System>
  <Calculation id="initial">
    <Date>28 Sep 2024 13:51:54 GMT</Date>
    <System>initial</System>
    <Results>
      <PropertyValue property="VASP energy" type="float" units="eV">-10.754639</PropertyValue>
      <PropertyValue property="Fermi energy" type="float" units="eV">6.319500</PropertyValue>
      <PropertyValue dimensions="3 1" property="atomic derivatives" type="float" units="kJ/mol/m">0.000 0.000 0.000</PropertyValue>
      <PropertyValue property="cell volume" type="float" units="Ang^3">39.770</PropertyValue>
      <PropertyValue property="pressure" type="float" units="GPa">2.600</PropertyValue>
      <PropertyValue dimensions="6" property="stress" type="float" units="GPa">-2.60009 -2.60009 -2.60009 0.00000 0.00000 0.00000</PropertyValue>
    </Results>
  </Calculation>
</MDRESULTS>