<?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">2025-11-16T12:43:56.000</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="1.44887915"
                        xFract="0.11129754"
                        y3="0.83699521"
                        yFract="0.11139425"
                        z3="4.74514753"
                        zFract="0.22126593"/>
                  <atom elementType="Ag"
                        id="a20"
                        x3="4.33894655"
                        xFract="0.44471203"
                        y3="0.83231267"
                        yFract="0.11077106"
                        z3="4.73004607"
                        zFract="0.22056175"/>
                  <atom elementType="Ag"
                        id="a21"
                        x3="7.22848901"
                        xFract="0.77746135"
                        y3="0.83671682"
                        yFract="0.1113572"
                        z3="4.74681641"
                        zFract="0.22134375"/>
                  <atom elementType="Ag"
                        id="a22"
                        x3="2.88803002"
                        xFract="0.11047653"
                        y3="3.34201546"
                        yFract="0.44478308"
                        z3="4.72989574"
                        zFract="0.22055474"/>
                  <atom elementType="Ag"
                        id="a23"
                        x3="5.78762367"
                        xFract="0.44473431"
                        y3="3.34116024"
                        yFract="0.44466926"
                        z3="4.72990582"
                        zFract="0.22055521"/>
                  <atom elementType="Ag"
                        id="a24"
                        x3="8.67574366"
                        xFract="0.77778383"
                        y3="3.33858931"
                        yFract="0.4443271"
                        z3="4.74937293"
                        zFract="0.22146296"/>
                  <atom elementType="Ag"
                        id="a25"
                        x3="4.33780871"
                        xFract="0.11096422"
                        y3="5.845777"
                        yFract="0.77800439"
                        z3="4.7424632"
                        zFract="0.22114076"/>
                  <atom elementType="Ag"
                        id="a26"
                        x3="7.22765921"
                        xFract="0.44400307"
                        y3="5.84636375"
                        yFract="0.77808248"
                        z3="4.74805725"
                        zFract="0.22140161"/>
                  <atom elementType="Ag"
                        id="a27"
                        x3="10.12367455"
                        xFract="0.77781356"
                        y3="5.84603239"
                        yFract="0.77803838"
                        z3="4.74844069"
                        zFract="0.22141949"/>
                  <atom elementType="Ag"
                        id="a28"
                        x3="8.67976335"
                        xFract="0.88926761"
                        y3="1.67021577"
                        yFract="0.22228614"
                        z3="7.12946536"
                        zFract="0.33244652"/>
                  <atom elementType="Ag"
                        id="a29"
                        x3="2.89961049"
                        xFract="0.22298125"
                        y3="1.67139529"
                        yFract="0.22244312"
                        z3="7.11392984"
                        zFract="0.3317221"/>
                  <atom elementType="Ag"
                        id="a30"
                        x3="5.77972165"
                        xFract="0.55489386"
                        y3="1.67203772"
                        yFract="0.22252862"
                        z3="7.11807804"
                        zFract="0.33191553"/>
                  <atom elementType="Ag"
                        id="a31"
                        x3="10.13078343"
                        xFract="0.89013838"
                        y3="4.17037069"
                        yFract="0.55502745"
                        z3="7.12926248"
                        zFract="0.33243706"/>
                  <atom elementType="Ag"
                        id="a32"
                        x3="4.33963362"
                        xFract="0.22286541"
                        y3="4.16732932"
                        yFract="0.55462268"
                        z3="7.10524551"
                        zFract="0.33131715"/>
                  <atom elementType="Ag"
                        id="a33"
                        x3="7.22562998"
                        xFract="0.55526398"
                        y3="4.17086239"
                        yFract="0.55509289"
                        z3="7.12745227"
                        zFract="0.33235265"/>
                  <atom elementType="Ag"
                        id="a34"
                        x3="11.57056554"
                        xFract="0.88942811"
                        y3="6.67482011"
                        yFract="0.88834031"
                        z3="7.13037121"
                        zFract="0.33248876"/>
                  <atom elementType="Ag"
                        id="a35"
                        x3="5.78465602"
                        xFract="0.22244798"
                        y3="6.67645452"
                        yFract="0.88855783"
                        z3="7.12924018"
                        zFract="0.33243602"/>
                  <atom elementType="Ag"
                        id="a36"
                        x3="8.67735358"
                        xFract="0.55535448"
                        y3="6.68396142"
                        yFract="0.88955691"
                        z3="7.12603022"
                        zFract="0.33228634"/>
                  <atom elementType="Ag"
                        id="a37"
                        x3="4.34259381"
                        xFract="0.00084669"
                        y3="7.50886938"
                        yFract="0.99934249"
                        z3="9.55532538"
                        zFract="0.44556422"/>
                  <atom elementType="Ag"
                        id="a38"
                        x3="7.23140421"
                        xFract="0.33419385"
                        y3="7.50302146"
                        yFract="0.9985642"
                        z3="9.54300583"
                        zFract="0.44498976"/>
                  <atom elementType="Ag"
                        id="a39"
                        x3="10.13142244"
                        xFract="0.66875051"
                        y3="7.49841016"
                        yFract="0.99795049"
                        z3="9.54356834"
                        zFract="0.44501599"/>
                  <atom elementType="Ag"
                        id="a40"
                        x3="1.44427733"
                        xFract="0.00014113"
                        y3="2.49944087"
                        yFract="0.33264628"
                        z3="9.55279782"
                        zFract="0.44544636"/>
                  <atom elementType="Ag"
                        id="a41"
                        x3="4.34192678"
                        xFract="0.33422534"
                        y3="2.49782653"
                        yFract="0.33243143"
                        z3="9.51951663"
                        zFract="0.44389446"/>
                  <atom elementType="Ag"
                        id="a42"
                        x3="7.2399307"
                        xFract="0.66818095"
                        y3="2.4987587"
                        yFract="0.33255549"
                        z3="9.54787309"
                        zFract="0.44521672"/>
                  <atom elementType="Ag"
                        id="a43"
                        x3="2.89580381"
                        xFract="0.00086936"
                        y3="5.00261491"
                        yFract="0.6657894"
                        z3="9.55534189"
                        zFract="0.44556499"/>
                  <atom elementType="Ag"
                        id="a44"
                        x3="5.78948238"
                        xFract="0.33417037"
                        y3="5.00589243"
                        yFract="0.6662256"
                        z3="9.54735454"
                        zFract="0.44519254"/>
                  <atom elementType="Ag"
                        id="a45"
                        x3="8.6793714"
                        xFract="0.66735821"
                        y3="5.00430694"
                        yFract="0.66601459"
                        z3="9.5524281"
                        zFract="0.44542912"/>
                  <atom elementType="H"
                        id="a46"
                        x3="4.28557044"
                        xFract="0.31857902"
                        y3="2.63534142"
                        yFract="0.35073305"
                        z3="11.17044916"
                        zFract="0.52087734"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a4" 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 a5" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a18" 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 a11" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a14" 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 a22" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a23" 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 a29" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a33" 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 a42" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a45" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a43" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a39" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a38" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a39 a45" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
               </bondArray>
               <formula concise="HAg45">
                  <atomArray count="1 45" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4854.068999999997</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">496.0000</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="2">PAW_PBE Ag 02Apr2005|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="2">Ag H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">107.87 1.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.00 1.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">45 1</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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                        y3="1.67183"
                        yFract="0.22250097"
                        z3="7.11821"
                        zFract="0.33192168"/>
                  <atom elementType="Ag"
                        id="a31"
                        x3="10.13135"
                        xFract="0.89028225"
                        y3="4.16919"
                        yFract="0.55487031"
                        z3="7.13062"
                        zFract="0.33250036"/>
                  <atom elementType="Ag"
                        id="a32"
                        x3="4.34023"
                        xFract="0.2229341"
                        y3="4.16733"
                        yFract="0.55462277"
                        z3="7.10827"
                        zFract="0.33145818"/>
                  <atom elementType="Ag"
                        id="a33"
                        x3="7.22538"
                        xFract="0.55528058"
                        y3="4.17018"
                        yFract="0.55500207"
                        z3="7.12827"
                        zFract="0.33239078"/>
                  <atom elementType="Ag"
                        id="a34"
                        x3="11.57044"
                        xFract="0.88939834"
                        y3="6.67505"
                        yFract="0.88837091"
                        z3="7.13103"
                        zFract="0.33251948"/>
                  <atom elementType="Ag"
                        id="a35"
                        x3="5.78509"
                        xFract="0.22257017"
                        y3="6.67537"
                        yFract="0.88841349"
                        z3="7.13139"
                        zFract="0.33253627"/>
                  <atom elementType="Ag"
                        id="a36"
                        x3="8.67711"
                        xFract="0.55535312"
                        y3="6.68356"
                        yFract="0.88950349"
                        z3="7.12697"
                        zFract="0.33233016"/>
                  <atom elementType="Ag"
                        id="a37"
                        x3="4.34231"
                        xFract="0.00094636"
                        y3="7.50688"
                        yFract="0.99907773"
                        z3="9.55552"
                        zFract="0.4455733"/>
                  <atom elementType="Ag"
                        id="a38"
                        x3="7.23135"
                        xFract="0.334388"
                        y3="7.50001"
                        yFract="0.99816341"
                        z3="9.54825"
                        zFract="0.4452343"/>
                  <atom elementType="Ag"
                        id="a39"
                        x3="10.13063"
                        xFract="0.66869445"
                        y3="7.49788"
                        yFract="0.99787993"
                        z3="9.54569"
                        zFract="0.44511492"/>
                  <atom elementType="Ag"
                        id="a40"
                        x3="1.44628"
                        xFract="0.00051841"
                        y3="2.49724"
                        yFract="0.33235337"
                        z3="9.55369"
                        zFract="0.44548796"/>
                  <atom elementType="Ag"
                        id="a41"
                        x3="4.34345"
                        xFract="0.33455572"
                        y3="2.4955"
                        yFract="0.3321218"
                        z3="9.52091"
                        zFract="0.44395943"/>
                  <atom elementType="Ag"
                        id="a42"
                        x3="7.24211"
                        xFract="0.66849726"
                        y3="2.49778"
                        yFract="0.33242524"
                        z3="9.55048"
                        zFract="0.44533828"/>
                  <atom elementType="Ag"
                        id="a43"
                        x3="2.89662"
                        xFract="0.00099504"
                        y3="5.00214"
                        yFract="0.6657262"
                        z3="9.55513"
                        zFract="0.44555511"/>
                  <atom elementType="Ag"
                        id="a44"
                        x3="5.79135"
                        xFract="0.33454417"
                        y3="5.00351"
                        yFract="0.66590853"
                        z3="9.55392"
                        zFract="0.44549869"/>
                  <atom elementType="Ag"
                        id="a45"
                        x3="8.68104"
                        xFract="0.66765879"
                        y3="5.00268"
                        yFract="0.66579806"
                        z3="9.55323"
                        zFract="0.44546651"/>
                  <atom elementType="H"
                        id="a46"
                        x3="4.29169"
                        xFract="0.32027861"
                        y3="2.6204"
                        yFract="0.34874452"
                        z3="11.17266"
                        zFract="0.52098043"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a6" 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 a15" order="S"/>
                  <bond atomRefs2="a3 a6" 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 a14" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a16" 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 a11" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a14" 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 a22" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a23" 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 a29" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a33" 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 a42" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a45" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a43" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a39" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a38" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a39 a45" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
               </bondArray>
               <formula concise="HAg45">
                  <atomArray count="1 45" elementType="H Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4854.068999999997</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
