./Stage_1/Job.xml output for 782: test-36

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> 3 Dec 2024 09:13:38 GMT</Date>
    <Characterization>
      <PropertyValue property="symmetry" type="text" units="">P1</PropertyValue>
      <PropertyValue property="setting" type="text" units="">P1</PropertyValue>
      <PropertyValue property="empirical formula" type="text" units="">Ag</PropertyValue>
      <PropertyValue property="primitive cell formula" type="text" units="">Ag32</PropertyValue>
      <PropertyValue property="primitive Z" type="text" units="">32</PropertyValue>
    </Characterization>
  </System>
  <Calculation id="initial">
    <Date> 3 Dec 2024 09:13:38 GMT</Date>
    <System>initial</System>
    <Results>
      <PropertyValue property="VASP energy" type="float" units="eV">-86.160048</PropertyValue>
      <PropertyValue property="Fermi energy" type="float" units="eV">8.298500</PropertyValue>
      <PropertyValue dimensions="3 32" property="atomic derivatives" type="float" units="kJ/mol/m">0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000
0.000 0.000 0.000</PropertyValue>
      <PropertyValue property="cell volume" type="float" units="Ang^3">539.750</PropertyValue>
      <PropertyValue property="pressure" type="float" units="GPa">2.144</PropertyValue>
      <PropertyValue dimensions="6" property="stress" type="float" units="GPa">-2.14426 -2.14426 -2.14426 -0.00000 -0.00000 -0.00000</PropertyValue>
    </Results>
  </Calculation>
</MDRESULTS>