./Job.xml output for 741: H-OSi + OH-Si on SiO2 surface (pair job 733)
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>29 Jun 2025 23:44:15 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="">Si31O70H16</PropertyValue> <PropertyValue property="primitive cell formula" type="text" units="">Si31O70H16</PropertyValue> <PropertyValue property="primitive Z" type="text" units="">1</PropertyValue> </Characterization> </System> <Calculation id="initial"> <Date>29 Jun 2025 23:44:15 GMT</Date> <System>initial</System> <Results> <PropertyValue property="VASP energy" type="float" units="eV">-846.628316</PropertyValue> <PropertyValue property="Fermi energy" type="float" units="eV">-2.296900</PropertyValue> <PropertyValue dimensions="3 117" 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