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        xmlns:cml="http://www.xml-cml.org/schema"
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        xmlns:convention="http://www.xml-cml.org/convention/"
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        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
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               </parameter>
               <parameter dictRef="cc:programVersion">
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                  <bond atomRefs2="a17 a78" order="S"/>
                  <bond atomRefs2="a17 a77" order="S"/>
                  <bond atomRefs2="a17 a89" order="S"/>
                  <bond atomRefs2="a17 a69" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a85" order="S"/>
                  <bond atomRefs2="a18 a73" order="S"/>
                  <bond atomRefs2="a18 a87" order="S"/>
                  <bond atomRefs2="a18 a75" order="S"/>
                  <bond atomRefs2="a19 a80" order="S"/>
                  <bond atomRefs2="a19 a79" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a20 a86" order="S"/>
                  <bond atomRefs2="a20 a74" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a88" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a21 a82" order="S"/>
                  <bond atomRefs2="a21 a91" order="S"/>
                  <bond atomRefs2="a21 a81" order="S"/>
                  <bond atomRefs2="a21 a71" order="S"/>
                  <bond atomRefs2="a21 a78" order="S"/>
                  <bond atomRefs2="a21 a77" order="S"/>
                  <bond atomRefs2="a22 a82" order="S"/>
                  <bond atomRefs2="a22 a87" order="S"/>
                  <bond atomRefs2="a22 a75" order="S"/>
                  <bond atomRefs2="a23 a83" order="S"/>
                  <bond atomRefs2="a23 a72" order="S"/>
                  <bond atomRefs2="a23 a84" order="S"/>
                  <bond atomRefs2="a23 a80" order="S"/>
                  <bond atomRefs2="a23 a92" order="S"/>
                  <bond atomRefs2="a23 a79" order="S"/>
                  <bond atomRefs2="a24 a88" order="S"/>
                  <bond atomRefs2="a24 a84" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a24 a81" order="S"/>
                  <bond atomRefs2="a25 a100" order="S"/>
                  <bond atomRefs2="a26 a94" order="S"/>
                  <bond atomRefs2="a26 a103" order="S"/>
                  <bond atomRefs2="a26 a93" order="S"/>
                  <bond atomRefs2="a26 a89" order="S"/>
                  <bond atomRefs2="a26 a101" order="S"/>
                  <bond atomRefs2="a26 a91" order="S"/>
                  <bond atomRefs2="a27 a98" order="S"/>
                  <bond atomRefs2="a27 a99" order="S"/>
                  <bond atomRefs2="a28 a92" order="S"/>
                  <bond atomRefs2="a28 a104" order="S"/>
                  <bond atomRefs2="a28 a95" order="S"/>
                  <bond atomRefs2="a28 a96" order="S"/>
                  <bond atomRefs2="a29 a107" order="S"/>
                  <bond atomRefs2="a29 a96" order="S"/>
                  <bond atomRefs2="a29 a100" order="S"/>
                  <bond atomRefs2="a30 a97" order="S"/>
                  <bond atomRefs2="a30 a91" order="S"/>
                  <bond atomRefs2="a30 a98" order="S"/>
                  <bond atomRefs2="a30 a103" order="S"/>
                  <bond atomRefs2="a31 a98" order="S"/>
                  <bond atomRefs2="a31 a99" order="S"/>
                  <bond atomRefs2="a31 a88" order="S"/>
                  <bond atomRefs2="a31 a108" order="S"/>
                  <bond atomRefs2="a31 a95" order="S"/>
                  <bond atomRefs2="a31 a94" order="S"/>
                  <bond atomRefs2="a32 a99" order="S"/>
                  <bond atomRefs2="a32 a100" order="S"/>
                  <bond atomRefs2="a32 a90" order="S"/>
                  <bond atomRefs2="a32 a102" order="S"/>
                  <bond atomRefs2="a32 a92" order="S"/>
                  <bond atomRefs2="a32 a104" order="S"/>
                  <bond atomRefs2="a33 a113" order="S"/>
                  <bond atomRefs2="a33 a114" order="S"/>
                  <bond atomRefs2="a34 a107" order="S"/>
                  <bond atomRefs2="a34 a105" order="S"/>
                  <bond atomRefs2="a34 a111" order="S"/>
                  <bond atomRefs2="a35 a116" order="S"/>
                  <bond atomRefs2="a35 a102" order="S"/>
                  <bond atomRefs2="a35 a115" order="S"/>
                  <bond atomRefs2="a36 a108" order="S"/>
                  <bond atomRefs2="a36 a106" order="S"/>
                  <bond atomRefs2="a36 a109" order="S"/>
                  <bond atomRefs2="a36 a112" order="S"/>
                  <bond atomRefs2="a37 a117" order="S"/>
                  <bond atomRefs2="a37 a113" order="S"/>
                  <bond atomRefs2="a37 a114" order="S"/>
                  <bond atomRefs2="a37 a103" order="S"/>
                  <bond atomRefs2="a37 a110" order="S"/>
                  <bond atomRefs2="a37 a109" order="S"/>
                  <bond atomRefs2="a38 a115" order="S"/>
                  <bond atomRefs2="a38 a107" order="S"/>
                  <bond atomRefs2="a39 a116" order="S"/>
                  <bond atomRefs2="a39 a115" order="S"/>
                  <bond atomRefs2="a39 a104" order="S"/>
                  <bond atomRefs2="a39 a112" order="S"/>
                  <bond atomRefs2="a39 a111" order="S"/>
                  <bond atomRefs2="a40 a113" order="S"/>
                  <bond atomRefs2="a40 a116" order="S"/>
                  <bond atomRefs2="a40 a108" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
               </bondArray>
               <formula concise="HO77Ru40">
                  <atomArray count="1 77 40" elementType="H O Ru"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5274.75379999998</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
