./Stage_1/Job.xml output for 263: (Cs2AgInCl6)4 (Fm-3m) ~ Cs2InAgCl6_mp-1096926_symmetrized.cif (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>13 Sep 2024 16:28:24 GMT</Date>
    <Characterization>
      <PropertyValue property="symmetry" type="text" units="">Fm-3m</PropertyValue>
      <PropertyValue property="setting" type="text" units="">Fm-3m</PropertyValue>
      <PropertyValue property="empirical formula" type="text" units="">Cs2AgInCl6</PropertyValue>
      <PropertyValue property="primitive cell formula" type="text" units="">Cs2AgInCl6</PropertyValue>
      <PropertyValue property="primitive Z" type="text" units="">1</PropertyValue>
    </Characterization>
  </System>
  <Calculation id="initial">
    <Date>13 Sep 2024 16:28:24 GMT</Date>
    <System>initial</System>
    <Results>
      <PropertyValue property="VASP energy" type="float" units="eV">-31.695147</PropertyValue>
      <PropertyValue property="Fermi energy" type="float" units="eV">1.914300</PropertyValue>
      <PropertyValue dimensions="3 4" 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
-3847700875.674 0.000 0.000</PropertyValue>
      <PropertyValue property="cell volume" type="float" units="Ang^3">280.330</PropertyValue>
      <PropertyValue property="pressure" type="float" units="GPa">1.237</PropertyValue>
      <PropertyValue dimensions="6" property="stress" type="float" units="GPa">-1.23719 -1.23719 -1.23719 -0.00000 0.00000 -0.00000</PropertyValue>
      <PropertyValue property="magnetic moment" type="float" units="ub">0.0000</PropertyValue>
    </Results>
  </Calculation>
</MDRESULTS>