<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:a="http://www.iochem-bd.org/dictionary/adf/"
        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:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="adf.log">
   <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">AMS</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">2021.106</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string">r99350</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2021-12-03</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:date">2023-07-07T14:19:42.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string" id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">Becke88 Perdew86</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">Becke88 Perdew86</scalar>
               </parameter>
            </parameterList>
            <molecule id="geometry">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="2.367562"
                        y3="-0.007619"
                        z3="1.996187"/>
                  <atom elementType="W"
                        id="a2"
                        x3="-2.389534"
                        y3="-0.005536"
                        z3="1.986607"/>
                  <atom elementType="W"
                        id="a3"
                        x3="2.373812"
                        y3="-0.008464"
                        z3="-1.984980"/>
                  <atom elementType="W"
                        id="a4"
                        x3="-2.382180"
                        y3="-0.005995"
                        z3="-1.992055"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.008079"
                        y3="2.370582"
                        z3="1.989517"/>
                  <atom elementType="W"
                        id="a6"
                        x3="-0.010465"
                        y3="-2.385087"
                        z3="1.990358"/>
                  <atom elementType="W"
                        id="a7"
                        x3="-0.003788"
                        y3="2.370605"
                        z3="-1.990200"/>
                  <atom elementType="W"
                        id="a8"
                        x3="-0.006472"
                        y3="-2.386289"
                        z3="-1.988010"/>
                  <atom elementType="W"
                        id="a9"
                        x3="-0.014269"
                        y3="-0.005945"
                        z3="4.346484"/>
                  <atom elementType="W"
                        id="a10"
                        x3="-0.001762"
                        y3="-0.008610"
                        z3="-4.344761"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-0.007342"
                        y3="-0.005538"
                        z3="1.994389"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-0.006507"
                        y3="-0.006833"
                        z3="-1.992503"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.914439"
                        y3="1.914626"
                        z3="1.859202"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.930407"
                        y3="1.915771"
                        z3="1.853878"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.911652"
                        y3="-1.929642"
                        z3="1.858417"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.932314"
                        y3="-1.926961"
                        z3="1.854925"/>
                  <atom elementType="O"
                        id="a17"
                        x3="1.918134"
                        y3="1.913656"
                        z3="-1.854829"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-1.926320"
                        y3="1.916308"
                        z3="-1.858252"/>
                  <atom elementType="O"
                        id="a19"
                        x3="1.915333"
                        y3="-1.930197"
                        z3="-1.852156"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-1.928418"
                        y3="-1.928669"
                        z3="-1.857399"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.010827"
                        y3="1.897830"
                        z3="3.864810"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.012880"
                        y3="-1.909959"
                        z3="3.864710"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-0.001936"
                        y3="1.896119"
                        z3="-3.864362"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-0.003956"
                        y3="-1.912509"
                        z3="-3.862575"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-0.005883"
                        y3="2.332934"
                        z3="-0.000166"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.010260"
                        y3="-2.347560"
                        z3="0.001304"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.892201"
                        y3="-0.007611"
                        z3="3.869003"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-1.916732"
                        y3="-0.005127"
                        z3="3.861927"/>
                  <atom elementType="O"
                        id="a29"
                        x3="1.900948"
                        y3="-0.009470"
                        z3="-3.860481"/>
                  <atom elementType="O"
                        id="a30"
                        x3="-1.906854"
                        y3="-0.007025"
                        z3="-3.866102"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.334713"
                        y3="-0.007292"
                        z3="0.003573"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-2.347681"
                        y3="-0.005831"
                        z3="-0.002093"/>
                  <atom elementType="O"
                        id="a33"
                        x3="4.094980"
                        y3="-0.009255"
                        z3="2.183508"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-4.117047"
                        y3="-0.004941"
                        z3="2.170479"/>
                  <atom elementType="O"
                        id="a35"
                        x3="4.101214"
                        y3="-0.010111"
                        z3="-2.171038"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-4.109506"
                        y3="-0.005219"
                        z3="-2.180131"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-0.016859"
                        y3="-0.006082"
                        z3="6.088968"/>
                  <atom elementType="O"
                        id="a38"
                        x3="0.000391"
                        y3="-0.009325"
                        z3="-6.087239"/>
                  <atom elementType="O"
                        id="a39"
                        x3="-0.008219"
                        y3="4.098091"
                        z3="2.175616"/>
                  <atom elementType="O"
                        id="a40"
                        x3="-0.011854"
                        y3="-4.112358"
                        z3="2.177361"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-0.002893"
                        y3="4.098048"
                        z3="-2.176476"/>
                  <atom elementType="O"
                        id="a42"
                        x3="-0.006974"
                        y3="-4.113739"
                        z3="-2.173454"/>
                  <atom elementType="Li"
                        id="a43"
                        x3="-2.344092"
                        y3="-2.341724"
                        z3="-0.003651"/>
                  <atom elementType="Li"
                        id="a44"
                        x3="2.331255"
                        y3="-2.337398"
                        z3="0.002388"/>
                  <atom elementType="Li"
                        id="a45"
                        x3="-2.336221"
                        y3="2.331307"
                        z3="-0.004348"/>
                  <atom elementType="Li"
                        id="a46"
                        x3="2.330258"
                        y3="2.319296"
                        z3="0.001189"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a11 a1" order="S"/>
                  <bond atomRefs2="a13 a1" order="S"/>
                  <bond atomRefs2="a15 a1" order="S"/>
                  <bond atomRefs2="a27 a1" order="S"/>
                  <bond atomRefs2="a31 a1" order="S"/>
                  <bond atomRefs2="a33 a1" order="S"/>
                  <bond atomRefs2="a11 a2" order="S"/>
                  <bond atomRefs2="a14 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a28 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a34 a2" order="S"/>
                  <bond atomRefs2="a12 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a29 a3" order="S"/>
                  <bond atomRefs2="a31 a3" order="S"/>
                  <bond atomRefs2="a35 a3" order="S"/>
                  <bond atomRefs2="a12 a4" order="S"/>
                  <bond atomRefs2="a18 a4" order="S"/>
                  <bond atomRefs2="a20 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a32 a4" order="S"/>
                  <bond atomRefs2="a36 a4" order="S"/>
                  <bond atomRefs2="a11 a5" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a21 a5" order="S"/>
                  <bond atomRefs2="a25 a5" order="S"/>
                  <bond atomRefs2="a39 a5" order="S"/>
                  <bond atomRefs2="a11 a6" order="S"/>
                  <bond atomRefs2="a15 a6" order="S"/>
                  <bond atomRefs2="a16 a6" order="S"/>
                  <bond atomRefs2="a22 a6" order="S"/>
                  <bond atomRefs2="a26 a6" order="S"/>
                  <bond atomRefs2="a40 a6" order="S"/>
                  <bond atomRefs2="a12 a7" order="S"/>
                  <bond atomRefs2="a17 a7" order="S"/>
                  <bond atomRefs2="a18 a7" order="S"/>
                  <bond atomRefs2="a23 a7" order="S"/>
                  <bond atomRefs2="a25 a7" order="S"/>
                  <bond atomRefs2="a41 a7" order="S"/>
                  <bond atomRefs2="a12 a8" order="S"/>
                  <bond atomRefs2="a19 a8" order="S"/>
                  <bond atomRefs2="a20 a8" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a26 a8" order="S"/>
                  <bond atomRefs2="a42 a8" order="S"/>
                  <bond atomRefs2="a11 a9" order="S"/>
                  <bond atomRefs2="a21 a9" order="S"/>
                  <bond atomRefs2="a22 a9" order="S"/>
                  <bond atomRefs2="a27 a9" order="S"/>
                  <bond atomRefs2="a28 a9" order="S"/>
                  <bond atomRefs2="a37 a9" order="S"/>
                  <bond atomRefs2="a12 a10" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a24 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a30 a10" order="S"/>
                  <bond atomRefs2="a38 a10" order="S"/>
               </bondArray>
               <formula concise="Li4O32W10"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">2379.410584</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/4Li.32O.10W">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:43;44;45;46;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;1;2;3;4;5;6;7;8;9;10/rA:46WWWWWWWWWWO0O0O3O3O3O3O3O3O3O3OOOOOOOOOOOOO1O1O1O1O1O1O1O1O1O1Li2Li2Li2Li2/rB:;;;;;;;;;;;s1s5;s2s5;s1s6;s2s6;s3s7;s4s7;s3s8;s4s8;s5s9;s6s9;s7s10;s8s10;s5s7;s6s8;s1s9;s2s9;s3s10;s4s10;s1s3;s2s4;s1;s2;s3;s4;s9;s10;s5;s6;s7;s8;s16s20;s15s19;s14s18;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters2">
                  <list cmlx:templateRef="scf">
                     <scalar dataType="xsd:string" dictRef="cc:functional">VWN</scalar>
                  </list>
                  <list cmlx:templateRef="spin">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoArea">1444.99041012</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">4004.31186651</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="4243" startLine="4241">
                     <scalar dataType="xsd:string" dictRef="cc:functional">VWN</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="4247" startLine="4245">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="4256" startLine="4249">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task GeometryOptimization</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">System</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atoms</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.363981483172849 -0.007256866681663098 2.016461513320471 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.384748247150195 -0.004550862961854354 2.017240586130664 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.368725051440076 -0.009541271080523635 -2.012995308111999 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.38056848126974 -0.006891970531769875 -2.020113163893347 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.009581343653892068 2.369792561899077 2.018008608387936 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.01261966656642306 -2.381951660164722 2.019669140287339 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.002690635192525204 2.367176428063148 -2.017177876464707 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.005528029428154052 -2.383129574140777 -2.01784671603238 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.01174117292099868 -0.00652157505186797 4.362811251622266 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.002371206079194104 -0.008128132345573226 -4.36193311470223 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.01243158459573369 -0.007502091862287407 2.00216492615461 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.003511368012886585 -0.008958219143930213 -2.00172293278723 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.916794271329398 1.920532970898201 1.885087854982627 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.936188293662959 1.921524842172061 1.880474468558396 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.914359242040934 -1.935104717383916 1.88478670208311 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.938512370988525 -1.932046981359284 1.881794133188287 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.922721822242478 1.918148382619971 -1.878919031500341 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.930593974092563 1.919223292727259 -1.885628417468953 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.921074623165277 -1.936901603245132 -1.876511337891939 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.932292024527789 -1.933307680490103 -1.885105170327599 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.01242455594510684 1.90436958924114 3.885100628355644 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.0140774234946431 -1.917848711694556 3.886851645835685 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.0007898852254731247 1.902484338381323 -3.884529613802715 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.002268535301220682 -1.919172892297656 -3.885504741968167 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.007480533896349553 2.306671201626052 0.0005662623726784054 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.01061958422692007 -2.323651383119644 -0.0001972540852980016 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.897519022985768 -0.007117554984457936 3.884971260423489 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.923667137552981 -0.0053155335749188 3.884737109694914 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.908614873702573 -0.009317983399066802 -3.88113531345858 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.913262005137722 -0.00737646764320931 -3.887265056311548 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.303069944438831 -0.006652968609197135 0.003792154193329292 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.319333994699664 -0.006599693825169492 -0.002312912499682743 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.088453185056159 -0.008233482240984783 2.18085853908973 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.110015066683211 -0.002218412525873082 2.173375076596486 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.094072856320914 -0.0108876147368002 -2.169206505720191 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.105077593719902 -0.004848148867170539 -2.182544853321672 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.01187946859111609 -0.005185914770035632 6.094968368685794 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.0008694830809074075 -0.007235998570911542 -6.094088813359093 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.007847044080381798 4.094681246892347 2.177515984983217 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.01205326990164289 -4.106840039140965 2.17990337171867 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.0008407543077600482 4.091997245487781 -2.177689590957896 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.004830978945756062 -4.108012189166788 -2.17833627545447 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Li -2.135602744447445 -2.133480316592442 -0.0005729460276130197 adf.R=2.125</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Li 2.135059429224968 -2.172840344694185 0.005318203550184573 adf.R=2.125</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Li -2.148195002583318 2.130650310760724 -0.001763490049723492 adf.R=2.125</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Li 2.136692193874118 2.148631208175805 0.004181674504395018 adf.R=2.125</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 28 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 32 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 34 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 35 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 30 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 32 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 36 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 39 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 40 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 41 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 42 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 28 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 30 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 38 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Engine ADF</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Basis</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Type TZP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        GGA BP86</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Solvation</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Surf Delley</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Solv name=Water cav0=0.0 cav1=0.0067639</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Charged method=CONJ</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        C-Mat POT</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        SCF VAR ALL </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        CSMRSP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">EndEngine</scalar>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="adf">
               <module cmlx:templateRef="adf.runtype">
                  <module cmlx:templateRef="symmetry">
                     <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="scf">
                  <scalar dataType="xsd:string" dictRef="cc:scfConverged">SCF CONVERGED</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="2.367562"
                        y3="-0.007619"
                        z3="1.996187"/>
                  <atom elementType="W"
                        id="a2"
                        x3="-2.389534"
                        y3="-0.005536"
                        z3="1.986607"/>
                  <atom elementType="W"
                        id="a3"
                        x3="2.373812"
                        y3="-0.008464"
                        z3="-1.984980"/>
                  <atom elementType="W"
                        id="a4"
                        x3="-2.382180"
                        y3="-0.005995"
                        z3="-1.992055"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.008079"
                        y3="2.370582"
                        z3="1.989517"/>
                  <atom elementType="W"
                        id="a6"
                        x3="-0.010465"
                        y3="-2.385087"
                        z3="1.990358"/>
                  <atom elementType="W"
                        id="a7"
                        x3="-0.003788"
                        y3="2.370605"
                        z3="-1.990200"/>
                  <atom elementType="W"
                        id="a8"
                        x3="-0.006472"
                        y3="-2.386289"
                        z3="-1.988010"/>
                  <atom elementType="W"
                        id="a9"
                        x3="-0.014269"
                        y3="-0.005945"
                        z3="4.346484"/>
                  <atom elementType="W"
                        id="a10"
                        x3="-0.001762"
                        y3="-0.008610"
                        z3="-4.344761"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-0.007342"
                        y3="-0.005538"
                        z3="1.994389"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-0.006507"
                        y3="-0.006833"
                        z3="-1.992503"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.914439"
                        y3="1.914626"
                        z3="1.859202"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.930407"
                        y3="1.915771"
                        z3="1.853878"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.911652"
                        y3="-1.929642"
                        z3="1.858417"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.932314"
                        y3="-1.926961"
                        z3="1.854925"/>
                  <atom elementType="O"
                        id="a17"
                        x3="1.918134"
                        y3="1.913656"
                        z3="-1.854829"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-1.926320"
                        y3="1.916308"
                        z3="-1.858252"/>
                  <atom elementType="O"
                        id="a19"
                        x3="1.915333"
                        y3="-1.930197"
                        z3="-1.852156"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-1.928418"
                        y3="-1.928669"
                        z3="-1.857399"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.010827"
                        y3="1.897830"
                        z3="3.864810"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.012880"
                        y3="-1.909959"
                        z3="3.864710"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-0.001936"
                        y3="1.896119"
                        z3="-3.864362"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-0.003956"
                        y3="-1.912509"
                        z3="-3.862575"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-0.005883"
                        y3="2.332934"
                        z3="-0.000166"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.010260"
                        y3="-2.347560"
                        z3="0.001304"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.892201"
                        y3="-0.007611"
                        z3="3.869003"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-1.916732"
                        y3="-0.005127"
                        z3="3.861927"/>
                  <atom elementType="O"
                        id="a29"
                        x3="1.900948"
                        y3="-0.009470"
                        z3="-3.860481"/>
                  <atom elementType="O"
                        id="a30"
                        x3="-1.906854"
                        y3="-0.007025"
                        z3="-3.866102"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.334713"
                        y3="-0.007292"
                        z3="0.003573"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-2.347681"
                        y3="-0.005831"
                        z3="-0.002093"/>
                  <atom elementType="O"
                        id="a33"
                        x3="4.094980"
                        y3="-0.009255"
                        z3="2.183508"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-4.117047"
                        y3="-0.004941"
                        z3="2.170479"/>
                  <atom elementType="O"
                        id="a35"
                        x3="4.101214"
                        y3="-0.010111"
                        z3="-2.171038"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-4.109506"
                        y3="-0.005219"
                        z3="-2.180131"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-0.016859"
                        y3="-0.006082"
                        z3="6.088968"/>
                  <atom elementType="O"
                        id="a38"
                        x3="0.000391"
                        y3="-0.009325"
                        z3="-6.087239"/>
                  <atom elementType="O"
                        id="a39"
                        x3="-0.008219"
                        y3="4.098091"
                        z3="2.175616"/>
                  <atom elementType="O"
                        id="a40"
                        x3="-0.011854"
                        y3="-4.112358"
                        z3="2.177361"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-0.002893"
                        y3="4.098048"
                        z3="-2.176476"/>
                  <atom elementType="O"
                        id="a42"
                        x3="-0.006974"
                        y3="-4.113739"
                        z3="-2.173454"/>
                  <atom elementType="Li"
                        id="a43"
                        x3="-2.344092"
                        y3="-2.341724"
                        z3="-0.003651"/>
                  <atom elementType="Li"
                        id="a44"
                        x3="2.331255"
                        y3="-2.337398"
                        z3="0.002388"/>
                  <atom elementType="Li"
                        id="a45"
                        x3="-2.336221"
                        y3="2.331307"
                        z3="-0.004348"/>
                  <atom elementType="Li"
                        id="a46"
                        x3="2.330258"
                        y3="2.319296"
                        z3="0.001189"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a11 a1" order="S"/>
                  <bond atomRefs2="a13 a1" order="S"/>
                  <bond atomRefs2="a15 a1" order="S"/>
                  <bond atomRefs2="a27 a1" order="S"/>
                  <bond atomRefs2="a31 a1" order="S"/>
                  <bond atomRefs2="a33 a1" order="S"/>
                  <bond atomRefs2="a11 a2" order="S"/>
                  <bond atomRefs2="a14 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a28 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a34 a2" order="S"/>
                  <bond atomRefs2="a12 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a29 a3" order="S"/>
                  <bond atomRefs2="a31 a3" order="S"/>
                  <bond atomRefs2="a35 a3" order="S"/>
                  <bond atomRefs2="a12 a4" order="S"/>
                  <bond atomRefs2="a18 a4" order="S"/>
                  <bond atomRefs2="a20 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a32 a4" order="S"/>
                  <bond atomRefs2="a36 a4" order="S"/>
                  <bond atomRefs2="a11 a5" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a21 a5" order="S"/>
                  <bond atomRefs2="a25 a5" order="S"/>
                  <bond atomRefs2="a39 a5" order="S"/>
                  <bond atomRefs2="a11 a6" order="S"/>
                  <bond atomRefs2="a15 a6" order="S"/>
                  <bond atomRefs2="a16 a6" order="S"/>
                  <bond atomRefs2="a22 a6" order="S"/>
                  <bond atomRefs2="a26 a6" order="S"/>
                  <bond atomRefs2="a40 a6" order="S"/>
                  <bond atomRefs2="a12 a7" order="S"/>
                  <bond atomRefs2="a17 a7" order="S"/>
                  <bond atomRefs2="a18 a7" order="S"/>
                  <bond atomRefs2="a23 a7" order="S"/>
                  <bond atomRefs2="a25 a7" order="S"/>
                  <bond atomRefs2="a41 a7" order="S"/>
                  <bond atomRefs2="a12 a8" order="S"/>
                  <bond atomRefs2="a19 a8" order="S"/>
                  <bond atomRefs2="a20 a8" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a26 a8" order="S"/>
                  <bond atomRefs2="a42 a8" order="S"/>
                  <bond atomRefs2="a11 a9" order="S"/>
                  <bond atomRefs2="a21 a9" order="S"/>
                  <bond atomRefs2="a22 a9" order="S"/>
                  <bond atomRefs2="a27 a9" order="S"/>
                  <bond atomRefs2="a28 a9" order="S"/>
                  <bond atomRefs2="a37 a9" order="S"/>
                  <bond atomRefs2="a12 a10" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a24 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a30 a10" order="S"/>
                  <bond atomRefs2="a38 a10" order="S"/>
               </bondArray>
               <formula concise="Li4O32W10"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">2379.410584</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/4Li.32O.10W">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:43;44;45;46;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;1;2;3;4;5;6;7;8;9;10/rA:46WWWWWWWWWWO0O0O3O3O3O3O3O3O3O3OOOOOOOOOOOOO1O1O1O1O1O1O1O1O1O1Li2Li2Li2Li2/rB:;;;;;;;;;;;s1s5;s2s5;s1s6;s2s6;s3s7;s4s7;s3s8;s4s8;s5s9;s6s9;s7s10;s8s10;s5s7;s6s8;s1s9;s2s9;s3s10;s4s10;s1s3;s2s4;s1;s2;s3;s4;s9;s10;s5;s6;s7;s8;s16s20;s15s19;s14s18;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>1258.32634600</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>61.77618100</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>1355.12650418</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="46">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="46">W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Li Li Li Li</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="46">2.46353931 2.46372717 2.46345769 2.46375792 2.46369571 2.46378811 2.46362646 2.46373485 2.46550238 2.46548399 -1.15595736 -1.15596699 -0.81109179 -0.81136401 -0.81117262 -0.81170936 -0.81074964 -0.81065555 -0.81085592 -0.81086994 -0.85901115 -0.85909287 -0.85896106 -0.85900758 -0.90587565 -0.90656280 -0.85869022 -0.85897948 -0.85916289 -0.85901781 -0.90519950 -0.90636278 -0.69209756 -0.69194441 -0.69208536 -0.69221279 -0.72119865 -0.72138044 -0.69216031 -0.69203177 -0.69213938 -0.69205194 0.40989029 0.40908215 0.40860470 0.40772885</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="46">1.85861998 1.85896641 1.85858225 1.85860560 1.85863908 1.85880622 1.85869527 1.85877380 1.90234450 1.90227693 -0.64384677 -0.64389814 -0.64360789 -0.64368103 -0.64364429 -0.64365792 -0.64375098 -0.64373605 -0.64379127 -0.64376649 -0.71295025 -0.71307327 -0.71298421 -0.71300678 -0.65024900 -0.65096183 -0.71270427 -0.71283530 -0.71297284 -0.71305704 -0.65022873 -0.65082164 -0.56560792 -0.56545252 -0.56548080 -0.56582000 -0.58877484 -0.58901047 -0.56582501 -0.56566274 -0.56562828 -0.56555564 0.44402587 0.44317257 0.44284042 0.44169532</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="46">1.91600899 1.91659344 1.91603252 1.91620620 1.91611376 1.91647907 1.91618211 1.91643432 1.96874053 1.96873383 -0.65639543 -0.65622999 -0.72355047 -0.72377475 -0.72380482 -0.72377343 -0.72373844 -0.72384581 -0.72399951 -0.72390000 -0.75232816 -0.75244372 -0.75224921 -0.75228753 -0.73297821 -0.73351178 -0.75175155 -0.75219627 -0.75249967 -0.75228967 -0.73293443 -0.73348278 -0.54217422 -0.54185729 -0.54198978 -0.54231230 -0.55225781 -0.55249781 -0.54222786 -0.54206785 -0.54213419 -0.54206122 0.55796594 0.55722044 0.55694017 0.55589462</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-342.321210</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">264.067572</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">12.285491</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-296.880134</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-1.748332</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-364.596621</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="46">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="46">W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Li Li Li Li</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="46">2.58089879 2.58118439 2.58077557 2.58125040 2.58098651 2.58135778 2.58076583 2.58113197 2.53670930 2.53669863 -1.17229314 -1.17221612 -1.03226698 -1.03247577 -1.03262235 -1.03242537 -1.03263614 -1.03269402 -1.03294649 -1.03270068 -0.90538941 -0.90553221 -0.90538263 -0.90547772 -1.06239927 -1.06164134 -0.90514943 -0.90556519 -0.90564719 -0.90540183 -1.06335611 -1.06179915 -0.68997163 -0.68987818 -0.68994736 -0.69007910 -0.72141313 -0.72158368 -0.69000949 -0.68994251 -0.69003799 -0.68997569 0.83474170 0.83479058 0.83471373 0.83485210</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.00002492 -0.01537513 0.01036066</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">0.018540</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">35.88262374 -0.00681620 0.05201936 35.74182385 -0.03596253 -71.62444758</array>
               </module>
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="930">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930</array>
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                            dictRef="cc:energy"
                            size="930"
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7.731908 7.764728 7.877290 7.982052 8.127867 8.131496 8.349712 8.363723 8.379634 8.381225 8.448567 8.450968 8.550161 8.694540 8.710061 8.798536 9.163229 9.166011 9.186172 9.287459 9.350775 9.464442 9.466237 9.499055 9.535763 9.991124 10.121112 10.122359 10.124228 10.125888 10.243708 10.414272 10.478095 10.635260 10.710222 10.716296 10.768865 10.876321 10.876713 10.884313 11.474380 11.542911 11.546244 11.986135 12.303279 12.305611 12.512439 12.618194 12.751543 12.815290 12.815683 13.077872 13.738792 13.762102 13.851306 13.853872 13.884613 13.887566 14.244309 14.467210 14.545460 14.680381 14.685618 15.154063 15.161865 15.344280 15.345482 15.463044 15.596973 16.180395 16.181598 16.182861 16.308904 16.312412 16.323548 16.333261 16.728869 16.820959 16.821169 16.945241 17.040072 17.672647 17.754141 17.852690 17.854971 17.856764 17.860560 18.021390 18.212100 18.435300 18.438271 18.677753 18.680189 18.734287 18.785520 18.839610 18.839765 18.942010 18.970216 18.988024 19.066121 19.070731 19.388144 19.460483 19.537009 19.542383 19.960084 19.966724 20.009484 20.439036 20.620116 20.668175 20.671349 20.816861 20.837656 20.869907 21.019250 21.429638 21.624490 21.625368 21.836613 21.909001 21.916469 22.099811 22.183166 22.290792 23.022903 23.025959 23.268776 23.306984 23.398493 23.407404 23.415376 23.596404 23.597301 23.827936 23.833162 23.839126 24.202807 24.337718 24.341264 24.683818 24.787963 24.795811 24.878924 25.350164 25.351941 25.520845 25.668114 26.199291 26.237624 26.239289 26.507273 26.508924 26.615884 26.685085 26.801818 27.088979 27.291717 27.299094 27.561260 27.650149 27.730701 27.836851 27.838044 28.307724 28.331149 28.494407 28.496686 28.779827 28.781155 28.839902 28.867743 29.051738 29.091543 29.146422 29.157479 29.508216 29.510031 29.646036 29.777848 29.780450 29.920265 29.971174 30.146580 30.432788 30.455475 30.487143 30.492867 30.500190 30.511629 30.514391 30.554442 30.950790 31.044892 31.045997 31.169650 31.177414 31.257816 31.321589 31.323160 31.516221 31.562312 31.567714 31.854272 31.889744 31.992920 31.999211 32.393699 32.525335 32.561523 32.583784 32.687829 32.690528 32.694821 32.698275 32.832002 33.020368 33.029393 33.042439 33.049260 33.531968 33.587612 33.597231 33.700274 33.705604 33.712444 33.720780 33.803049 34.190027 34.193875 34.212331 34.213606 34.373225 34.373557 34.796207 34.842058 35.048673 35.053065 35.204718 35.211124 35.353063 35.353897 35.356754 35.394031 35.695870 35.808532 35.828663 35.835903 35.893865 36.160696 36.190501 36.266738 36.274133 36.298671 36.562793 36.574321 36.575798 36.718133 36.726951 36.933847 36.990659 37.002667 37.097704 37.213513 37.357251 37.358824 37.366349 37.431197 37.764983 37.858765 37.989713 38.281557 38.287656 38.290694 38.293485 38.330758 38.388299 38.754282 38.795834 38.905068 38.906118 39.079519 39.257092 39.440353 39.443516 39.493547 39.497776 39.696727 39.715625 39.759645 39.878453 39.925914 40.012427 40.057298 40.064456 40.205444 40.467735 40.568011 40.638736 40.639591 40.976183 40.979934 41.165387 41.237730 41.247607 41.627952 41.682390 41.731780 41.903868 42.461449 42.543738 42.563158 42.783652 42.791695 43.187528 43.223216 43.712787 43.721832 44.081188 44.987071 45.339087 45.586616 45.590733 45.717985 45.722401 45.723607 45.883230 46.022451 46.082105 46.443721 46.659626 46.663886 46.668688 46.680540 47.054491 47.154784 47.490164 48.369724 48.371151 48.492062 48.926861 48.980468 48.984429 49.553338 50.211551 50.431954 50.465372 50.467337 50.597922 50.968847 51.114224 51.115406 51.215768 51.224180 51.968321 52.268419 52.424346 52.428128 52.446446 52.462778 52.610157 52.619984 53.039056 53.616507 53.805271 53.821254 53.974173 54.759114 54.870830 54.886660 55.001731 55.006213 55.008710 55.311647 55.335138 55.775034 56.001840 56.069013 56.073514 56.334837 56.364064 56.688975 56.692188 56.914617 57.802449 57.803590 57.877700 58.167364 58.173067 58.386617 58.442958 58.470628 58.500542 58.526262 58.651003 58.660721 58.815215 59.002333 59.006941 59.350460 60.409913 60.413730 60.649862 61.161431 61.165890 61.245049 61.661360 62.117798 62.743154 62.747340 63.579899 64.612278 64.657028 65.145582 65.149895 65.200332 65.551601 65.595203 65.596900 67.502552 67.958853 68.206258 69.044556 69.048393 69.057635 69.944621 69.983896 70.000816 70.961054 70.965852 72.127886 72.734314 72.737009 73.517289 73.888924 73.892788 74.086481 75.151464 75.608736 76.368068 76.925895 77.058786 77.065692 77.820325 78.138528 78.144193 78.504986 78.508015 79.342652 81.552409 81.722942 81.725948 82.771035 83.223041 84.255431 84.496378 84.572308 85.177182 88.400446 88.521547 88.538273 102.629782 103.184456 103.986497 103.988117 104.557445 105.680775 105.982957 107.170687 107.176371 107.341328 121.769797 122.522804 122.966022 123.140409 123.144649 123.870706 123.872111 124.701614 124.709122 124.953115 124.955672 126.156143 127.393083 127.396828 127.643884 129.188347 129.197104 129.587422 130.060480 130.067217 130.360760 130.483085 130.514766 130.522199 131.321883 131.328634 131.806786 131.811164 131.988866 132.134229 132.137060 132.610522 132.664803 132.742643 133.001969 133.749845 133.756196 134.290461 134.407743 134.705097 134.999896 135.001265 135.082120 135.256154 135.713186 135.717905 137.686829 138.329017 138.338038 138.597531 138.612716 140.532315 141.662958 141.674738 141.719739 143.258954 143.769203 143.777040 143.965248 144.097409 145.122862 145.137693 145.147029 145.529869 145.550164 146.127587 146.782767 146.791203 146.799968 147.806524 147.963515 148.550519 148.556680 149.858987 149.866442 150.668216 150.689120 150.862027 151.312612 151.315219 151.805541 152.951100 153.019180 153.034082 153.505920 154.006408 154.608989 154.625255 155.239584 155.696660 156.859583 156.883990 156.886309 157.034700 157.073493 158.969809 158.996837 159.947634 160.506592 160.542228 162.900736 162.905303 163.220193 163.223875 165.500749 165.547342 166.397909 166.403313 166.491439 166.579659 166.653544 166.656524 166.857981 169.378662 169.422417 170.150008 172.377296 172.384845 176.247500 178.633007 179.738069 179.744330 184.659905 188.768664 188.794564 191.368569 916.400943 918.266230 923.893820 924.896017 926.113205 926.123771 928.669731 928.680267 931.059844 932.102106 933.276778 934.929287 936.885922 936.890725 938.343124 938.365564 941.773862 942.180806 942.204604 942.391387 942.693956 945.973490 949.176548 952.736942 957.321603 960.269182 960.277092 963.103226 965.068927 965.084637 981.357936 982.862617 82907.052240 82913.638062 82931.496517 82931.520436 82936.837561 82943.236233 82943.278471 82950.834053 82954.382907 82960.410242</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="930">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A</array>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.39867240</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-364.596621</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000040927</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00135269723529</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00106089836180</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="46">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="46">W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Li Li Li Li</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="46">2.5809 2.5812 2.5808 2.5813 2.5810 2.5814 2.5808 2.5811 2.5367 2.5367 -1.1723 -1.1722 -1.0323 -1.0325 -1.0326 -1.0324 -1.0326 -1.0327 -1.0329 -1.0327 -0.9054 -0.9055 -0.9054 -0.9055 -1.0624 -1.0616 -0.9051 -0.9056 -0.9056 -0.9054 -1.0634 -1.0618 -0.6900 -0.6899 -0.6899 -0.6901 -0.7214 -0.7216 -0.6900 -0.6899 -0.6900 -0.6900 0.8347 0.8348 0.8347 0.8349</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="46">2.0930 2.0928 2.0931 2.0930 2.0931 2.0929 2.0931 2.0930 2.0839 2.0839 1.9210 1.9210 1.9477 1.9477 1.9477 1.9477 1.9476 1.9476 1.9476 1.9476 1.9571 1.9571 1.9571 1.9571 1.9255 1.9255 1.9571 1.9571 1.9570 1.9571 1.9255 1.9255 1.9815 1.9816 1.9816 1.9816 1.9755 1.9755 1.9816 1.9816 1.9816 1.9816 -0.0100 -0.0102 -0.0103 -0.0105</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="46">6.1149 6.1148 6.1151 6.1147 6.1149 6.1147 6.1149 6.1148 6.1098 6.1098 5.2287 5.2287 5.0520 5.0523 5.0524 5.0522 5.0525 5.0525 5.0529 5.0526 4.9134 4.9135 4.9134 4.9135 5.1114 5.1106 4.9131 4.9136 4.9137 4.9134 5.1124 5.1107 4.6707 4.6705 4.6706 4.6708 4.7095 4.7097 4.6707 4.6706 4.6707 4.6706 0.1136 0.1138 0.1138 0.1138</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="46">3.2070 3.2070 3.2069 3.2069 3.2068 3.2069 3.2070 3.2070 3.2654 3.2655 0.0226 0.0226 0.0325 0.0325 0.0325 0.0325 0.0325 0.0325 0.0325 0.0325 0.0350 0.0349 0.0350 0.0350 0.0255 0.0256 0.0350 0.0350 0.0349 0.0350 0.0255 0.0256 0.0377 0.0378 0.0378 0.0377 0.0364 0.0364 0.0377 0.0378 0.0377 0.0378 0.0616 0.0616 0.0617 0.0618</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="46">0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0042 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="sfo.population">
                  <module cmlx:templateRef="molecular.orbitals">
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-25.730</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">41</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.82 5.81 5.81 5.80 5.80 5.80 5.79 5.78 3.35 3.34 3.33 3.33 3.07 3.06 3.06 3.05 3.05 3.04 3.04 3.04 2.28 2.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 19 18 20 15 13 14 16 26 32 31 25 28 27 22 21 24 23 29 30 11 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-25.572</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">42</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">8.08 8.06 8.05 8.05 8.04 8.02 8.01 7.99 2.51 2.50 2.49 2.49 2.48 2.48 2.47 2.47 2.41 2.40</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">17 19 18 13 15 20 14 16 27 28 22 21 23 24 29 30 11 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-25.166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">43</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
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                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">2 3 1 4 1 4 2 3 17 16 20 13 11 12 16 17 13 20 4 3 2 1 34 35 33 36 6 7 14 19 18 15 8 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W O O O O O O O O O O W W W W O O O O W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.029</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">212</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.21 10.16 9.07 9.03 3.10 3.06 3.05 3.02 3.01 3.00 2.96 2.91 2.77 2.76 2.76 2.75 2.55 2.54 2.54 2.53 2.51 2.50 2.50 2.48 1.18 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 2 2 2 2 2 2 2 2 2 2 1 1 1 1 3 3 3 3 3 3 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S S S S S S P:z P:z P:z P:z S S S S S S S S D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">1.301 1.301 -5.836 -5.836 -5.836 -5.836 -5.836 -5.836 -5.836 -5.836 -5.836 -5.836 -1.064 -1.064 -1.064 -1.064 1.301 1.301 1.301 1.301 1.301 1.301 1.301 1.301 -4.627 -4.627</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">10 9 9 10 1 8 2 6 4 7 5 3 43 44 45 46 8 2 7 1 3 4 6 5 10 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W Li Li Li Li W W W W W W W W W W</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
