<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        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">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-11-16T12:38:57.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.676200205</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.676200205380116</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">21.445450404</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ag"
                        id="a1"
                        x3="8.67620021"
                        xFract="0.88888889"
                        y3="1.66973549"
                        yFract="0.22222222"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a2"
                        x3="2.89206671"
                        xFract="0.22222222"
                        y3="1.66973549"
                        yFract="0.22222222"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.7841335"
                        xFract="0.55555556"
                        y3="1.66973549"
                        yFract="0.22222222"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a4"
                        x3="10.1222336"
                        xFract="0.88888889"
                        y3="4.1743388"
                        yFract="0.55555556"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a5"
                        x3="4.3381001"
                        xFract="0.22222222"
                        y3="4.1743388"
                        yFract="0.55555556"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a6"
                        x3="7.2301669"
                        xFract="0.55555556"
                        y3="4.1743388"
                        yFract="0.55555556"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a7"
                        x3="11.56826695"
                        xFract="0.88888889"
                        y3="6.67894204"
                        yFract="0.88888889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a8"
                        x3="5.78413346"
                        xFract="0.22222222"
                        y3="6.67894204"
                        yFract="0.88888889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a9"
                        x3="8.67620025"
                        xFract="0.55555556"
                        y3="6.67894204"
                        yFract="0.88888889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a11"
                        x3="2.89206671"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a12"
                        x3="5.7841335"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a13"
                        x3="1.44603335"
                        xFract="0.0000"
                        y3="2.50460324"
                        yFract="0.33333333"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a14"
                        x3="4.33810006"
                        xFract="0.33333333"
                        y3="2.50460324"
                        yFract="0.33333333"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a15"
                        x3="7.23016685"
                        xFract="0.66666667"
                        y3="2.50460324"
                        yFract="0.33333333"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a16"
                        x3="2.89206675"
                        xFract="0.0000"
                        y3="5.00920655"
                        yFract="0.66666667"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a17"
                        x3="5.78413346"
                        xFract="0.33333333"
                        y3="5.00920655"
                        yFract="0.66666667"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a18"
                        x3="8.67620025"
                        xFract="0.66666667"
                        y3="5.00920655"
                        yFract="0.66666667"
                        z3="2.36136262"
                        zFract="0.11011019"/>
                  <atom elementType="Ag"
                        id="a19"
                        x3="1.42707286"
                        xFract="0.11006363"
                        y3="0.81776834"
                        yFract="0.10883538"
                        z3="4.70675395"
                        zFract="0.21947564"/>
                  <atom elementType="Ag"
                        id="a20"
                        x3="4.3187389"
                        xFract="0.44472149"
                        y3="0.79716983"
                        yFract="0.10609396"
                        z3="4.75542891"
                        zFract="0.22174535"/>
                  <atom elementType="Ag"
                        id="a21"
                        x3="7.19512273"
                        xFract="0.77783272"
                        y3="0.77334392"
                        yFract="0.10292301"
                        z3="4.75796697"
                        zFract="0.2218637"/>
                  <atom elementType="Ag"
                        id="a22"
                        x3="2.87887151"
                        xFract="0.1121471"
                        y3="3.30104776"
                        yFract="0.43933076"
                        z3="4.77941521"
                        zFract="0.22286383"/>
                  <atom elementType="Ag"
                        id="a23"
                        x3="5.75359549"
                        xFract="0.44411889"
                        y3="3.29146999"
                        yFract="0.43805607"
                        z3="4.72107094"
                        zFract="0.22014324"/>
                  <atom elementType="Ag"
                        id="a24"
                        x3="8.66470736"
                        xFract="0.77884801"
                        y3="3.30348179"
                        yFract="0.4396547"
                        z3="4.71802697"
                        zFract="0.2200013"/>
                  <atom elementType="Ag"
                        id="a25"
                        x3="4.28547474"
                        xFract="0.10852766"
                        y3="5.7917476"
                        yFract="0.77081371"
                        z3="4.74262404"
                        zFract="0.22114826"/>
                  <atom elementType="Ag"
                        id="a26"
                        x3="7.21091337"
                        xFract="0.44487851"
                        y3="5.80420332"
                        yFract="0.77247142"
                        z3="4.70412538"
                        zFract="0.21935307"/>
                  <atom elementType="Ag"
                        id="a27"
                        x3="10.09690001"
                        xFract="0.77764719"
                        y3="5.80215768"
                        yFract="0.77219917"
                        z3="4.75698799"
                        zFract="0.22181805"/>
                  <atom elementType="Ag"
                        id="a28"
                        x3="8.62019"
                        xFract="0.8893651"
                        y3="1.56556666"
                        yFract="0.20835857"
                        z3="7.08257917"
                        zFract="0.33026022"/>
                  <atom elementType="Ag"
                        id="a29"
                        x3="2.84397271"
                        xFract="0.22120953"
                        y3="1.60165256"
                        yFract="0.21316118"
                        z3="7.21219483"
                        zFract="0.33630419"/>
                  <atom elementType="Ag"
                        id="a30"
                        x3="5.73537833"
                        xFract="0.55475525"
                        y3="1.59731581"
                        yFract="0.21258401"
                        z3="7.21364604"
                        zFract="0.33637186"/>
                  <atom elementType="Ag"
                        id="a31"
                        x3="10.11679232"
                        xFract="0.89356378"
                        y3="4.09466176"
                        yFract="0.54495148"
                        z3="7.17553962"
                        zFract="0.33459496"/>
                  <atom elementType="Ag"
                        id="a32"
                        x3="4.32190958"
                        xFract="0.22504571"
                        y3="4.10386565"
                        yFract="0.54617641"
                        z3="7.25029825"
                        zFract="0.33808095"/>
                  <atom elementType="Ag"
                        id="a33"
                        x3="7.17028662"
                        xFract="0.55197134"
                        y3="4.12448543"
                        yFract="0.54892066"
                        z3="7.01885358"
                        zFract="0.3272887"/>
                  <atom elementType="Ag"
                        id="a34"
                        x3="11.46224882"
                        xFract="0.88344155"
                        y3="6.5771738"
                        yFract="0.87534473"
                        z3="7.27035682"
                        zFract="0.33901628"/>
                  <atom elementType="Ag"
                        id="a35"
                        x3="5.67813892"
                        xFract="0.21089175"
                        y3="6.66562411"
                        yFract="0.88711643"
                        z3="7.0109816"
                        zFract="0.32692163"/>
                  <atom elementType="Ag"
                        id="a36"
                        x3="8.60039008"
                        xFract="0.54890167"
                        y3="6.64762711"
                        yFract="0.88472124"
                        z3="7.14688335"
                        zFract="0.33325872"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="6.07197933"
                        xFract="0.48222185"
                        y3="3.27033018"
                        yFract="0.43524261"
                        z3="9.28516696"
                        zFract="0.43296675"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="8.51400931"
                        xFract="0.76927564"
                        y3="3.18631504"
                        yFract="0.42406118"
                        z3="9.06569015"
                        zFract="0.42273256"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.85914681"
                        xFract="0.40604182"
                        y3="5.77854876"
                        yFract="0.7690571"
                        z3="9.08197325"
                        zFract="0.42349184"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="9.48121585"
                        xFract="0.72901978"
                        y3="5.46651565"
                        yFract="0.72752915"
                        z3="9.34695002"
                        zFract="0.43584769"/>
                  <atom elementType="C"
                        id="a41"
                        x3="7.27214365"
                        xFract="0.50238819"
                        y3="5.04602369"
                        yFract="0.6715666"
                        z3="10.82630415"
                        zFract="0.50482988"/>
                  <atom elementType="C"
                        id="a42"
                        x3="6.25152114"
                        xFract="0.4513667"
                        y3="4.04498519"
                        yFract="0.53834011"
                        z3="11.16379936"
                        zFract="0.52056726"/>
                  <atom elementType="O"
                        id="a43"
                        x3="8.50680104"
                        xFract="0.64330122"
                        y3="5.06692561"
                        yFract="0.6743484"
                        z3="11.1388405"
                        zFract="0.51940343"/>
                  <atom elementType="O"
                        id="a44"
                        x3="5.31085875"
                        xFract="0.35224319"
                        y3="3.90530053"
                        yFract="0.51974972"
                        z3="11.90872423"
                        zFract="0.55530306"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a20 a29" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a33" order="S"/>
                  <bond atomRefs2="a28 a38" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a38" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a40" order="S"/>
                  <bond atomRefs2="a32 a37" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a39" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
               </bondArray>
               <formula concise="C2Cu4O2Ag36">
                  <atomArray count="2 4 2 36" elementType="C Cu O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4193.459399999996</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">460.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_PBE Ag 02Apr2005|PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Ag Cu C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">107.87 63.55 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.00 11.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">36 4 2 2</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
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                  <atom elementType="Ag"
                        id="a31"
                        x3="10.11514"
                        xFract="0.89304872"
                        y3="4.09954"
                        yFract="0.54560072"
                        z3="7.15786"
                        zFract="0.33377056"/>
                  <atom elementType="Ag"
                        id="a32"
                        x3="4.31712"
                        xFract="0.22389382"
                        y3="4.11288"
                        yFract="0.54737611"
                        z3="7.24687"
                        zFract="0.33792109"/>
                  <atom elementType="Ag"
                        id="a33"
                        x3="7.16915"
                        xFract="0.55103152"
                        y3="4.13664"
                        yFract="0.55053829"
                        z3="7.0178"
                        zFract="0.32723957"/>
                  <atom elementType="Ag"
                        id="a34"
                        x3="11.45698"
                        xFract="0.8822729"
                        y3="6.58561"
                        yFract="0.87646749"
                        z3="7.27396"
                        zFract="0.3391843"/>
                  <atom elementType="Ag"
                        id="a35"
                        x3="5.67669"
                        xFract="0.21014942"
                        y3="6.67427"
                        yFract="0.8882671"
                        z3="7.01378"
                        zFract="0.32705212"/>
                  <atom elementType="Ag"
                        id="a36"
                        x3="8.59787"
                        xFract="0.54783911"
                        y3="6.65923"
                        yFract="0.88626545"
                        z3="7.14481"
                        zFract="0.33316204"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="6.07132"
                        xFract="0.48044301"
                        y3="3.29592"
                        yFract="0.43864831"
                        z3="9.28411"
                        zFract="0.43291746"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="8.52352"
                        xFract="0.76965481"
                        y3="3.19709"
                        yFract="0.4254952"
                        z3="9.06314"
                        zFract="0.42261365"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.86774"
                        xFract="0.40517759"
                        y3="5.80642"
                        yFract="0.77276643"
                        z3="9.08499"
                        zFract="0.42363251"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="9.53345"
                        xFract="0.73402975"
                        y3="5.4817"
                        yFract="0.72955001"
                        z3="9.3135"
                        zFract="0.43428792"/>
                  <atom elementType="C"
                        id="a41"
                        x3="7.31675"
                        xFract="0.50991128"
                        y3="5.01023"
                        yFract="0.66680288"
                        z3="10.78983"
                        zFract="0.50312909"/>
                  <atom elementType="C"
                        id="a42"
                        x3="6.27318"
                        xFract="0.45205739"
                        y3="4.07212"
                        yFract="0.54195144"
                        z3="11.17431"
                        zFract="0.52105737"/>
                  <atom elementType="O"
                        id="a43"
                        x3="8.57415"
                        xFract="0.65806187"
                        y3="4.96176"
                        yFract="0.66035209"
                        z3="11.04254"
                        zFract="0.51491294"/>
                  <atom elementType="O"
                        id="a44"
                        x3="5.34034"
                        xFract="0.35196194"
                        y3="3.96059"
                        yFract="0.5271081"
                        z3="11.93328"
                        zFract="0.55644809"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a20 a29" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a33" order="S"/>
                  <bond atomRefs2="a28 a38" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a38" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a40" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a32 a37" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a39" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
               </bondArray>
               <formula concise="C2Cu4O2Ag36">
                  <atomArray count="2 4 2 36" elementType="C Cu O Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4193.459399999996</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
